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3-(3-keto-5,5-dimethyl-cyclohexen-1-yl)propionic acid

View entire compound with spectra: 1 MS (GC)

3-(3-keto-5,5-dimethyl-cyclohexen-1-yl)propionic acid
SpectraBase Compound ID 9y7npl8DVSX
InChI InChI=1S/C11H16O3/c1-11(2)6-8(3-4-10(13)14)5-9(12)7-11/h5H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKey QDFAFJJGEHCDLY-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 5WQ7BTsdw2o
Name 3-(3-keto-5,5-dimethyl-cyclohexen-1-yl)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-11(2)6-8(3-4-10(13)14)5-9(12)7-11/h5H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKey QDFAFJJGEHCDLY-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES OC(CCC1=CC(=O)CC(C1)(C)C)=O
SPLASH splash10-03di-3900000000-ba2bc65261c2094ed911
Source of Spectrum SK-22-2863-10
Synonyms 3-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)propanoic acid 3-(5,5-dimethyl-3-oxo-1-cyclohexenyl)propanoic acid 3-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)propanoic acid
Wiley ID 852268