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Benzenecarbodithioic acid, 3-(1,1-dimethylethyl)-, methyl ester
SpectraBase Compound ID 6Rpa07xYf6
InChI InChI=1S/C12H16S2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5-8H,1-4H3
InChIKey HZCSZLKSKQUMJP-UHFFFAOYSA-N
Mol Weight 224.38 g/mol
Molecular Formula C12H16S2
Exact Mass 224.069343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPCgTUq9XpA
Name Benzenecarbodithioic acid, 3-(1,1-dimethylethyl)-, methyl ester
Alternate Name(s) Methyl 3-(t-butyl)-dithiobenzoate Methyl 3-tert-butylbenzenecarbodithioate
CAS Registry Number 117828-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16S2
InChI InChI=1S/C12H16S2/c1-12(2,3)10-7-5-6-9(8-10)11(13)14-4/h5-8H,1-4H3
InChIKey HZCSZLKSKQUMJP-UHFFFAOYSA-N
Molecular Weight 224.380 g/mol
SMILES C(c1cc(C(C)(C)C)ccc1)(=S)SC
SPLASH splash10-004i-0910000000-1a5ab9163da9f4aba3e0
Source of Spectrum K-122-190-8
Wiley ID 1225071