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Beta-diketones
Description:
Organic compounds containing two keto groups separated by a single carbon atom.
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Ethyl 2,4-dioxo-6-phenylcyclohexanecarboxylateCas Number: 56540-06-8 Compound CID: 12617805Formula: C15H16O4 Molecular Weight: 260.29IUPAC Name: ethyl 2,4-dioxo-6-phenylcyclohexane-1-carboxylateSMILES: CCOC(=O)C1C(CC(=O)CC1=O)C2=CC=CC=C2InChIKey: BXVBHUOYUZLPLZ-UHFFFAOYSA-NInChI: InChI=1S/C15H16O4/c1-2-19-15(18)14-12(8-11(16)9-13(14)17)10-6-4-3-5-7-10/h3-7,12,14H,2,8-9H2,1H3 -
1，3-Dicyclopropylpropane-1，3-dioneCas Number: 30923-64-9 Compound CID: 13780782Formula: C9H12O2 Molecular Weight: 152.19IUPAC Name: 1,3-dicyclopropylpropane-1,3-dioneSMILES: C1CC1C(=O)CC(=O)C2CC2InChIKey: QSEFTOYPSHMMDG-UHFFFAOYSA-NInChI: InChI=1S/C9H12O2/c10-8(6-1-2-6)5-9(11)7-3-4-7/h6-7H,1-5H2
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1-Cyclopropyl-4，4，4-trifluorobutane-1，3-dioneCas Number: 30923-69-4 Compound CID: 11194673Formula: C7H7F3O2 Molecular Weight: 180.13IUPAC Name: 1-cyclopropyl-4,4,4-trifluorobutane-1,3-dioneSMILES: C1CC1C(=O)CC(=O)C(F)(F)FInChIKey: LTTCLMXHNACGKU-UHFFFAOYSA-NInChI: InChI=1S/C7H7F3O2/c8-7(9,10)6(12)3-5(11)4-1-2-4/h4H,1-3H2
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ProhexadioneIUPAC Name: 3,5-dioxo-4-propanoylcyclohexane-1-carboxylic acidSMILES: CCC(=O)C1C(=O)CC(CC1=O)C(=O)OInChIKey: BUCOQPHDYUOJSI-UHFFFAOYSA-NInChI: InChI=1S/C10H12O5/c1-2-6(11)9-7(12)3-5(10(14)15)4-8(9)13/h5,9H,2-4H2,1H3,(H,14,15)
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2，8-Dimethylnonane-4，6-dioneCas Number: 7307-08-6 Compound CID: 581379Formula: C11H20O2 Molecular Weight: 184.27IUPAC Name: 2,8-dimethylnonane-4,6-dioneSMILES: CC(C)CC(=O)CC(=O)CC(C)CInChIKey: GJMUCDMIIVSROW-UHFFFAOYSA-NInChI: InChI=1S/C11H20O2/c1-8(2)5-10(12)7-11(13)6-9(3)4/h8-9H,5-7H2,1-4H3
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2，2，7-Trimethyl-3，5-octanedioneCas Number: 69725-37-7 Compound CID: 112295Formula: C11H20O2 Molecular Weight: 184.28IUPAC Name: 2,2,7-trimethyloctane-3,5-dioneSMILES: CC(C)CC(=O)CC(=O)C(C)(C)CInChIKey: KEBPOWLGOOTMPK-UHFFFAOYSA-NInChI: InChI=1S/C11H20O2/c1-8(2)6-9(12)7-10(13)11(3,4)5/h8H,6-7H2,1-5H3
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2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTERCas Number: 5396-14-5 Compound CID: 219637Formula: C10H14O4 Molecular Weight: 198.22IUPAC Name: ethyl 2-oxo-2-(2-oxocyclohexyl)acetateSMILES: CCOC(=O)C(=O)C1CCCCC1=OInChIKey: SIQOFNOENHOIFT-UHFFFAOYSA-NInChI: InChI=1S/C10H14O4/c1-2-14-10(13)9(12)7-5-3-4-6-8(7)11/h7H,2-6H2,1H3
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2-Chloro-5，5-dimethyl-1，3-cyclohexanedioneCas Number: 7298-89-7 Compound CID: 122278Formula: C8H11ClO2 Molecular Weight: 174.62IUPAC Name: 2-chloro-5,5-dimethylcyclohexane-1,3-dioneSMILES: CC1(CC(=O)C(C(=O)C1)Cl)CInChIKey: VOBIHUAWDXUCPH-UHFFFAOYSA-NInChI: InChI=1S/C8H11ClO2/c1-8(2)3-5(10)7(9)6(11)4-8/h7H,3-4H2,1-2H3
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Heptane-2，4-dioneCas Number: 7307-02-0 Compound CID: 23732Formula: C7H12O2 Molecular Weight: 128.169IUPAC Name: heptane-2,4-dioneSMILES: CCCC(=O)CC(=O)CInChIKey: ILPNRWUGFSPGAA-UHFFFAOYSA-NInChI: InChI=1S/C7H12O2/c1-3-4-7(9)5-6(2)8/h3-5H2,1-2H3
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3-acetylheptane-2，6-dioneCas Number: 29214-57-1 Compound CID: 98352Formula: C9H14O3 Molecular Weight: 170.21IUPAC Name: 3-acetylheptane-2,6-dioneSMILES: CC(=O)CCC(C(=O)C)C(=O)CInChIKey: RQZJIXZNJBCGQC-UHFFFAOYSA-NInChI: InChI=1S/C9H14O3/c1-6(10)4-5-9(7(2)11)8(3)12/h9H,4-5H2,1-3H3
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2-Bromocyclohexane-1，3-dioneCas Number: 60060-44-8 Compound CID: 2770476Formula: C6H7BrO2 Molecular Weight: 191.03IUPAC Name: 2-bromocyclohexane-1,3-dioneSMILES: C1CC(=O)C(C(=O)C1)BrInChIKey: UBUJDMSDEQBNTG-UHFFFAOYSA-NInChI: InChI=1S/C6H7BrO2/c7-6-4(8)2-1-3-5(6)9/h6H,1-3H2
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2-Bromocyclopentane-1，3-dioneCas Number: 14203-24-8 Compound CID: 600689Formula: C5H5BrO2 Molecular Weight: 177IUPAC Name: 2-bromocyclopentane-1,3-dioneSMILES: C1CC(=O)C(C1=O)BrInChIKey: ROZCQYLERXSBBC-UHFFFAOYSA-NInChI: InChI=1S/C5H5BrO2/c6-5-3(7)1-2-4(5)8/h5H,1-2H2
