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6-Heptenoic acid, 5-hydroxy-5-methyl-3-oxo-, methyl ester

View entire compound with spectra: 1 MS (GC)

6-Heptenoic acid, 5-hydroxy-5-methyl-3-oxo-, methyl ester
SpectraBase Compound ID JRhZnPJM9yS
InChI InChI=1S/C9H14O4/c1-4-9(2,12)6-7(10)5-8(11)13-3/h4,12H,1,5-6H2,2-3H3
InChIKey YHOGIOFQLMTLIO-UHFFFAOYSA-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 IATih9vtCmH
Name 6-Heptenoic acid, 5-hydroxy-5-methyl-3-oxo-, methyl ester
Alternate Name(s) Methyl 5-hydroxy-5-methyl-3-oxo-6-heptenoate Methyl 5-hydroxy-5-methyl-3-oxohept-6-enoate
CAS Registry Number 53063-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O4
InChI InChI=1S/C9H14O4/c1-4-9(2,12)6-7(10)5-8(11)13-3/h4,12H,1,5-6H2,2-3H3
InChIKey YHOGIOFQLMTLIO-UHFFFAOYSA-N
Molecular Weight 186.207 g/mol
SMILES OC(CC(CC(=O)OC)=O)(C=C)C
SPLASH splash10-052f-9100000000-db3a6f73a0f019507f53
Source of Spectrum I-52-2163-4
Wiley ID 1182495