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5-Phenyl-4-pentynyl 2-methyldithiobenzoate

View entire compound with spectra: 1 MS (GC)

5-Phenyl-4-pentynyl 2-methyldithiobenzoate
SpectraBase Compound ID 1L8CM7qrzvk
InChI InChI=1S/C19H18S2/c1-16-10-7-8-14-18(16)19(20)21-15-9-3-6-13-17-11-4-2-5-12-17/h2,4-5,7-8,10-12,14H,3,9,15H2,1H3
InChIKey NTGAQFBKGPIIEI-UHFFFAOYSA-N
Mol Weight 310.47 g/mol
Molecular Formula C19H18S2
Exact Mass 310.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gFQEsEdjuN
Name 5-Phenyl-4-pentynyl 2-methyldithiobenzoate
Alternate Name(s) 5-Phenyl-4-pentynyl 2-methylbenzenecarbodithioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18S2
InChI InChI=1S/C19H18S2/c1-16-10-7-8-14-18(16)19(20)21-15-9-3-6-13-17-11-4-2-5-12-17/h2,4-5,7-8,10-12,14H,3,9,15H2,1H3
InChIKey NTGAQFBKGPIIEI-UHFFFAOYSA-N
Molecular Weight 310.473 g/mol
SMILES C(c1c(cccc1)C)(SCCCC#Cc1ccccc1)=S
SPLASH splash10-014l-0910000000-996c5b6ea7b08abc13f2
Source of Spectrum U-1996-1163-3
Wiley ID 768707