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Benzenecarbodithioic acid, 5-(1,1-dimethylethyl)-2-methyl-, methyl ester
SpectraBase Compound ID 9GRzC3xmsHI
InChI InChI=1S/C13H18S2/c1-9-6-7-10(13(2,3)4)8-11(9)12(14)15-5/h6-8H,1-5H3
InChIKey AENITPQVTPBUPM-UHFFFAOYSA-N
Mol Weight 238.41 g/mol
Molecular Formula C13H18S2
Exact Mass 238.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zcw6gM5kBm
Name Benzenecarbodithioic acid, 5-(1,1-dimethylethyl)-2-methyl-, methyl ester
Alternate Name(s) Methyl 5-(t-butyl)-2-methyldithiobenzoate Methyl 5-tert-butyl-2-methylbenzenecarbodithioate
CAS Registry Number 117828-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18S2
InChI InChI=1S/C13H18S2/c1-9-6-7-10(13(2,3)4)8-11(9)12(14)15-5/h6-8H,1-5H3
InChIKey AENITPQVTPBUPM-UHFFFAOYSA-N
Molecular Weight 238.407 g/mol
SMILES c1(cc(C(C)(C)C)ccc1C)C(=S)SC
SPLASH splash10-00dl-1950000000-3b96d5c0b23c68d0ad95
Source of Spectrum K-122-190-9
Wiley ID 1240570