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(E)-2-octenethioic acid S-phenyl ester
SpectraBase Compound ID EaFaAMcPG6A
InChI InChI=1S/C14H18OS/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-12H,2-5H2,1H3/b12-9+
InChIKey NXDGVSOCQNJWEN-FMIVXFBMSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Itrk3ilwQAZ
Name (E)-2-octenethioic acid S-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-12H,2-5H2,1H3/b12-9+
InChIKey NXDGVSOCQNJWEN-FMIVXFBMSA-N
Molecular Weight 234.357 g/mol
SMILES C(Sc1ccccc1)(\C=C\CCCCC)=O
SPLASH splash10-056r-4900000000-e5eea97e77ee282b145a
Source of Spectrum SK-30-2797-3
Synonyms (E)-oct-2-enethioic acid S-phenyl ester S-phenyl (E)-oct-2-enethioate
Wiley ID 881490