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2-[2-(2-Chlorophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
SpectraBase Compound ID KgOAoxlc8zW
InChI InChI=1S/C16H17ClO3/c1-16(2)8-14(19)11(15(20)9-16)7-13(18)10-5-3-4-6-12(10)17/h3-6,11H,7-9H2,1-2H3
InChIKey ALCLTZTUJJTIPJ-UHFFFAOYSA-N
Mol Weight 292.76 g/mol
Molecular Formula C16H17ClO3
Exact Mass 292.086622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzLDwKbP5Wa
Name 2-[2-(2-Chlorophenyl)-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17ClO3
InChI InChI=1S/C16H17ClO3/c1-16(2)8-14(19)11(15(20)9-16)7-13(18)10-5-3-4-6-12(10)17/h3-6,11H,7-9H2,1-2H3
InChIKey ALCLTZTUJJTIPJ-UHFFFAOYSA-N
Literature Reference DOI 10.1248/cpb.c13-00003
Molecular Weight 292.762 g/mol
SMILES C1(C(CC(C)(C)CC1=O)=O)CC(c1c(cccc1)Cl)=O
SPLASH splash10-053u-9300000000-4d131bf02f9c71f1d508
Source of Spectrum E1-62-21-13e
Synonyms 2-(2-(2-chlorophenyl)-2-oxoethyl)-5,5-dimethylcyclohexane-1,3-dione
Wiley ID 1743593