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1,4-Cyclohexadiene-1-acetic acid, 5-methoxy-.alpha.-methyl-, methyl ester, (.+-.)-
SpectraBase Compound ID HWrBszP7Syj
InChI InChI=1S/C11H16O3/c1-8(11(12)14-3)9-5-4-6-10(7-9)13-2/h5-6,8H,4,7H2,1-3H3
InChIKey NRYOJLBRSQNUQJ-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 JmEGkgH55l4
Name 1,4-Cyclohexadiene-1-acetic acid, 5-methoxy-.alpha.-methyl-, methyl ester, (.+-.)-
CAS Registry Number 122124-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-8(11(12)14-3)9-5-4-6-10(7-9)13-2/h5-6,8H,4,7H2,1-3H3
InChIKey NRYOJLBRSQNUQJ-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C=1(C(C(=O)OC)C)CC(OC)=CCC1
SPLASH splash10-0a4i-0900000000-781235f2ec124afc4ae1
Source of Spectrum F-44-4382-0
Synonyms Methyl 2-(5-methoxy-1,4-cyclohexadien-1-yl)propanoate Methyl 2-(5-methoxy-1,4-cyclohexadienyl)propionate
Wiley ID 1193157