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Methyl ester of (Z)-8-hydroxy-3-oxo-6-octenoic acid
SpectraBase Compound ID L9G51lVZ7Qa
InChI InChI=1S/C9H14O4/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2,4,10H,3,5-7H2,1H3/b4-2-
InChIKey OQXJKWRFSRNOBC-RQOWECAXSA-N
Mol Weight 186.21 g/mol
Molecular Formula C9H14O4
Exact Mass 186.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RdrQyEDW0R
Name Methyl ester of (Z)-8-hydroxy-3-oxo-6-octenoic acid
Alternate Name(s) Methyl (6Z)-8-hydroxy-3-oxo-6-octenoate
CAS Registry Number 94517-95-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-13-9(12)7-8(11)5-3-2-4-6-10/h2,4,10H,3,5-7H2,1H3/b4-2-
InChIKey OQXJKWRFSRNOBC-RQOWECAXSA-N
Molecular Weight 186.207 g/mol
SMILES OC\C=C/CCC(CC(=O)OC)=O
SPLASH splash10-0fr2-0900000000-3941bf21ce8e46cacc47
Source of Spectrum C-107-2129-0
Wiley ID 1182494