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(Z)-2-(phenylthio)-2-hexenoic acid ethyl ester
SpectraBase Compound ID Ha7WAyn7Hkz
InChI InChI=1S/C14H18O2S/c1-3-5-11-13(14(15)16-4-2)17-12-9-7-6-8-10-12/h6-11H,3-5H2,1-2H3/b13-11-
InChIKey NTZIOTRTOOOXDZ-QBFSEMIESA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7lYVvPB3oj
Name (Z)-2-(phenylthio)-2-hexenoic acid ethyl ester
Alternate Name(s) (Z)-2-(phenylthio)hex-2-enoic acid ethyl ester ethyl (Z)-2-phenylsulfanylhex-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-5-11-13(14(15)16-4-2)17-12-9-7-6-8-10-12/h6-11H,3-5H2,1-2H3/b13-11-
InChIKey NTZIOTRTOOOXDZ-QBFSEMIESA-N
Molecular Weight 250.356 g/mol
SMILES C(\C(Sc1ccccc1)=C\CCC)(=O)OCC
SPLASH splash10-0udi-0090000000-a216cf3bcfd245db3916
Source of Spectrum SK-28-3778-4
Wiley ID 868569