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Methyl 4-methyl-5-phenylthio-2-hexenoate
SpectraBase Compound ID 3A6NC3hhT5l
InChI InChI=1S/C14H18O2S/c1-11(9-10-14(15)16-3)12(2)17-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
InChIKey YSWSYHQAGZLAEB-MDZDMXLPSA-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 4kpF2hVwNqT
Name Methyl 4-methyl-5-phenylthio-2-hexenoate
CAS Registry Number 108733-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-11(9-10-14(15)16-3)12(2)17-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
InChIKey YSWSYHQAGZLAEB-MDZDMXLPSA-N
Molecular Weight 250.356 g/mol
SMILES C(\C=C\C(C(Sc1ccccc1)C)C)(=O)OC
SPLASH splash10-000i-0900000000-ffd96a0561e77c5a293b
Source of Spectrum AJ-59-2478-9
Synonyms Methyl (2E)-4-methyl-5-(phenylsulfanyl)-2-hexenoate
Wiley ID 1253239