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5,6-Octadienoic acid, 8-hydroxy-, methyl ester, (S)-
SpectraBase Compound ID IjH6r4U0JCg
InChI InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8-10/h2,6,10H,3,5,7-8H2,1H3
InChIKey ISPVMFAFUVDHKP-UHFFFAOYSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4QfJ1W67NAl
Name 5,6-Octadienoic acid, 8-hydroxy-, methyl ester, (S)-
Alternate Name(s) (S)-(+)-methyl hydroxy-5,6-octadienoate
CAS Registry Number 131905-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-12-9(11)7-5-3-2-4-6-8-10/h2,6,10H,3,5,7-8H2,1H3
InChIKey ISPVMFAFUVDHKP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo00003a033
Molecular Weight 170.208 g/mol
SMILES OCC(=[C@]=C(CCCC(=O)OC)[H])[H]
SPLASH splash10-03di-3900000000-ab6eb1c74573166719f3
Source of Spectrum J-56-1087-10
Wiley ID 1166628