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Cyclohexaneacetic acid, 1-(3-methyl-1,2-butadienyl)-, methyl ester
SpectraBase Compound ID GH4IYsHd01l
InChI InChI=1S/C14H22O2/c1-12(2)7-10-14(11-13(15)16-3)8-5-4-6-9-14/h10H,4-6,8-9,11H2,1-3H3
InChIKey ZURDADNYZKTWAM-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID In7pdzTylvF
Name Cyclohexaneacetic acid, 1-(3-methyl-1,2-butadienyl)-, methyl ester
Alternate Name(s) Methyl (6-methyl-3-pentamethylene)-4,5-heptadienoate Methyl[1-(3-methyl-1,2-butadienyl)cyclohexyl]acetate
CAS Registry Number 92749-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-12(2)7-10-14(11-13(15)16-3)8-5-4-6-9-14/h10H,4-6,8-9,11H2,1-3H3
InChIKey ZURDADNYZKTWAM-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES C(=C=C(C)C)C1(CC(=O)OC)CCCCC1
SPLASH splash10-00di-9100000000-32802bc8e24a806f2a78
Source of Spectrum AC-1983-312-0
Wiley ID 1222827