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3-Cycloheptene-1-carboxylic acid, 5,6-dimethyl-2-oxo-, methyl ester
SpectraBase Compound ID Kc0FjrHSPPm
InChI InChI=1S/C11H16O3/c1-7-4-5-10(12)9(6-8(7)2)11(13)14-3/h4-5,7-9H,6H2,1-3H3
InChIKey SYUQKNRVDMSNMV-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52mWU1w1h7v
Name 3-Cycloheptene-1-carboxylic acid, 5,6-dimethyl-2-oxo-, methyl ester
CAS Registry Number 74752-92-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-7-4-5-10(12)9(6-8(7)2)11(13)14-3/h4-5,7-9H,6H2,1-3H3
InChIKey SYUQKNRVDMSNMV-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C(OC)(=O)C1CC(C)C(C)C=CC1=O
SPLASH splash10-0api-9600000000-7141e8583326cbad4fbb
Source of Spectrum W5-14779-0-0
Synonyms Methyl 5,6-dimethyl-2-oxo-3-cycloheptene-1-carboxylate 2-keto-5,6-dimethyl-cyclohept-3-ene-1-carboxylic acid methyl ester 5,6-Dimethyl-2-oxo-1-cyclohept-3-enecarboxylic acid methyl ester Methyl 5,6-dimethyl-2-oxidanylidene-cyclohept-3-ene-1-carboxylate Methyl 5,6-dimethyl-2-oxo-cyclohept-3-ene-1-carboxylate
Wiley ID 1193095