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Methyl 2-phenylthio-6-heptenoate

View entire compound with spectra: 1 MS (GC)

Methyl 2-phenylthio-6-heptenoate
SpectraBase Compound ID DixRHGVbpak
InChI InChI=1S/C14H18O2S/c1-3-4-6-11-13(14(15)16-2)17-12-9-7-5-8-10-12/h3,5,7-10,13H,1,4,6,11H2,2H3
InChIKey VVWZRBJKILIALY-UHFFFAOYSA-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 ETSqbLODMCm
Name Methyl 2-phenylthio-6-heptenoate
Alternate Name(s) Methyl 2-(phenylsulfanyl)-6-heptenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-3-4-6-11-13(14(15)16-2)17-12-9-7-5-8-10-12/h3,5,7-10,13H,1,4,6,11H2,2H3
InChIKey VVWZRBJKILIALY-UHFFFAOYSA-N
Molecular Weight 250.356 g/mol
SMILES C(C(Sc1ccccc1)CCCC=C)(=O)OC
SPLASH splash10-001i-9610000000-e086eb787be0df83d302
Source of Spectrum QA-44-257-7
Wiley ID 862354