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3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-
SpectraBase Compound ID GlsL0b4QJoH
InChI InChI=1S/C10H14O3/c1-10(2)7(6-9(12)13)4-3-5-8(10)11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKey FVCUKRSKMFEBHK-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0lPbVykzXi
Name 3-Cyclohexene-1-acetic acid, 6,6-dimethyl-5-oxo-
CAS Registry Number 132216-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-10(2)7(6-9(12)13)4-3-5-8(10)11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKey FVCUKRSKMFEBHK-UHFFFAOYSA-N
Molecular Weight 182.219 g/mol
SMILES OC(CC1C(C(C=CC1)=O)(C)C)=O
SPLASH splash10-014i-9000000000-cb06bcb2ce884ea35194
Source of Spectrum AH-121-851-8
Synonyms (6,6-dimethyl-5-oxo-3-cyclohexen-1-yl)acetic acid 6,6-Dimethyl-5-oxocyclohex-3-eneacetic acid
Wiley ID 1178449