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Benzenecarbothioamide, N-(2,6-dimethylphenyl)-N-methyl-4-nitro-
SpectraBase Compound ID LeGKUCdfDDg
InChI InChI=1S/C16H16N2O2S/c1-11-5-4-6-12(2)15(11)17(3)16(21)13-7-9-14(10-8-13)18(19)20/h4-10H,1-3H3
InChIKey APEYVSHSWKSACM-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C16H16N2O2S
Exact Mass 300.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ed6BY7nKlg
Name Benzenecarbothioamide, N-(2,6-dimethylphenyl)-N-methyl-4-nitro-
Alternate Name(s) N-(2,6-dimethylphenyl)-N-methyl-4-nitrobenzenecarbothioamide N-Methyl-4-nitro-2',6'-dimethyl-thiobenzanilide
CAS Registry Number 65052-79-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N2O2S
InChI InChI=1S/C16H16N2O2S/c1-11-5-4-6-12(2)15(11)17(3)16(21)13-7-9-14(10-8-13)18(19)20/h4-10H,1-3H3
InChIKey APEYVSHSWKSACM-UHFFFAOYSA-N
Molecular Weight 300.376 g/mol
SMILES C(N(c1c(cccc1C)C)C)(c1ccc(N(=O)=O)cc1)=S
SPLASH splash10-03di-0910000000-9c0eb39383262fae29cb
Source of Spectrum O-12-186-1
Wiley ID 1302737