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4-Pentenyl 2-methyldithiobenzoate

View entire compound with spectra: 1 MS (GC)

4-Pentenyl 2-methyldithiobenzoate
SpectraBase Compound ID 1c51BRBEgjU
InChI InChI=1S/C13H16S2/c1-3-4-7-10-15-13(14)12-9-6-5-8-11(12)2/h3,5-6,8-9H,1,4,7,10H2,2H3
InChIKey ONCGSPQEFGFZTD-UHFFFAOYSA-N
Mol Weight 236.39 g/mol
Molecular Formula C13H16S2
Exact Mass 236.069343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlrSDbYMa6V
Name 4-Pentenyl 2-methyldithiobenzoate
Alternate Name(s) 4-Pentenyl 2-methylbenzenecarbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S2
InChI InChI=1S/C13H16S2/c1-3-4-7-10-15-13(14)12-9-6-5-8-11(12)2/h3,5-6,8-9H,1,4,7,10H2,2H3
InChIKey ONCGSPQEFGFZTD-UHFFFAOYSA-N
Molecular Weight 236.391 g/mol
SMILES C(c1c(C)cccc1)(=S)SCCCC=C
SPLASH splash10-000i-0900000000-517e3ad31d8258c7360a
Source of Spectrum U-1996-1163-3
Wiley ID 768708