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Propanoic acid, 2-(6-hydroxy-3-methoxy-3-cyclohexen-1-ylidene)-, methyl ester, (E)-(.+-.)-
SpectraBase Compound ID 2krUzSEODX4
InChI InChI=1S/C11H16O4/c1-7(11(13)15-3)9-6-8(14-2)4-5-10(9)12/h4,10,12H,5-6H2,1-3H3/b9-7+
InChIKey IIVFIXQFKSTKLZ-VQHVLOKHSA-N
Mol Weight 212.24 g/mol
Molecular Formula C11H16O4
Exact Mass 212.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9PXD1QA5jz3
Name Propanoic acid, 2-(6-hydroxy-3-methoxy-3-cyclohexen-1-ylidene)-, methyl ester, (E)-(.+-.)-
CAS Registry Number 122124-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4
InChI InChI=1S/C11H16O4/c1-7(11(13)15-3)9-6-8(14-2)4-5-10(9)12/h4,10,12H,5-6H2,1-3H3/b9-7+
InChIKey IIVFIXQFKSTKLZ-VQHVLOKHSA-N
Molecular Weight 212.245 g/mol
SMILES OC1\C(=C\(C(=O)OC)C)CC(OC)=CC1
SPLASH splash10-0w2c-0910000000-73995f0701d679325117
Source of Spectrum F-44-4382-0
Synonyms Methyl (2E)-2-(6-hydroxy-3-methoxy-3-cyclohexen-1-ylidene)propanoate Methyl e-2-(2-hydroxy-5-methoxy-4-cyclohexenylidene)propionate
Wiley ID 1211206