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Benzenecarbodithioic acid, 4-(1,1-dimethylethyl)-, methyl ester
SpectraBase Compound ID 1sDmrdrsOV7
InChI InChI=1S/C12H16S2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChIKey XGVNDLXEGXTPBM-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 Lag8YaDztl3
Name Benzenecarbodithioic acid, 4-(1,1-dimethylethyl)-, methyl ester
CAS Registry Number 58863-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16S2
InChI InChI=1S/C12H16S2/c1-12(2,3)10-7-5-9(6-8-10)11(13)14-4/h5-8H,1-4H3
InChIKey XGVNDLXEGXTPBM-UHFFFAOYSA-N
Molecular Weight 224.380 g/mol
SMILES CC(C)(C)c1ccc(cc1)C(=S)SC
SPLASH splash10-004i-1910000000-3675ff6226b92edfc88a
Source of Spectrum 0-16-99-1
Synonyms Methyl 4-tert-butylbenzenecarbodithioate 4-tert-Butylbenzenecarbodithioic acid methyl ester Methyl 4-tert-butyl-dithiabenzoate
Wiley ID 1225064