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Octyl 2-(benzylthio)acetate

View entire compound with spectra: 1 MS (GC)

Octyl 2-(benzylthio)acetate
SpectraBase Compound ID 6MfkYyzVEJA
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-10-13-19-17(18)15-20-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
InChIKey VJEUMZYCUUZXRT-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2AtRdR1neW
Name Octyl 2-(benzylthio)acetate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-2-3-4-5-6-10-13-19-17(18)15-20-14-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
InChIKey VJEUMZYCUUZXRT-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MSQP2010
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.17.24
Molecular Weight 294.453 g/mol
Reported Formula C17H26O2S
SMILES c1cccc(c1)CSCC(OCCCCCCCC)=O
SPLASH splash10-00dl-9700000000-bbc2af21d031246249d4
Source of Spectrum BJO-17-SM5-3l
Wiley ID 1858435