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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butanoic acid

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4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butanoic acid
SpectraBase Compound ID 3oODy0Hvl0H
InChI InChI=1S/C13H22O2/c1-10-6-5-9-13(2,3)11(10)7-4-8-12(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKey BGADGHSOFNIDPF-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lGKYbZJT72
Name 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)butanoic acid
CAS Registry Number 54344-76-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-10-6-5-9-13(2,3)11(10)7-4-8-12(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKey BGADGHSOFNIDPF-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES OC(CCCC1=C(C)CCCC1(C)C)=O
SPLASH splash10-0005-9700000000-8c76fd07d0a3d1ba7a88
Source of Spectrum CM-1999-14840-0
Synonyms 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-butyric acid 4-(2,6,6-trimethyl-1-cyclohexenyl)butanoic acid 4-(2,6,6-trimethylcyclohexen-1-yl)butanoic acid 4-(2,6,6-trimethylcyclohexen-1-yl)butyric acid
Wiley ID 477194