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5,8-Nonadienoic acid, 5-butyl-6-(methylthio)-, ethyl ester, (E)-
SpectraBase Compound ID 6sX7OIFrWEB
InChI InChI=1S/C16H28O2S/c1-5-8-11-14(15(19-4)10-6-2)12-9-13-16(17)18-7-3/h6H,2,5,7-13H2,1,3-4H3/b15-14+
InChIKey UBHFDKAHZYCKRR-CCEZHUSRSA-N
Mol Weight 284.46 g/mol
Molecular Formula C16H28O2S
Exact Mass 284.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6CIPx3d3q1B
Name 5,8-Nonadienoic acid, 5-butyl-6-(methylthio)-, ethyl ester, (E)-
CAS Registry Number 134629-10-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O2S
InChI InChI=1S/C16H28O2S/c1-5-8-11-14(15(19-4)10-6-2)12-9-13-16(17)18-7-3/h6H,2,5,7-13H2,1,3-4H3/b15-14+
InChIKey UBHFDKAHZYCKRR-CCEZHUSRSA-N
Molecular Weight 284.458 g/mol
SMILES C(\C(=C/(SC)CC=C)CCCC)CCC(=O)OCC
SPLASH splash10-0a4l-5940000000-38759e9354cbda6f48ce
Source of Spectrum C-113-5740-7
Synonyms (E)-Ethyl 5-butyl-6-(methylthio)-5,8-nonadienoate Ethyl (5E)-5-butyl-6-(methylsulfanyl)-5,8-nonadienoate
Wiley ID 1287944