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3',4-dinitro-N-methylthiobenzanilide
SpectraBase Compound ID 1lPXQWU8pzP
InChI InChI=1S/C14H11N3O4S/c1-15(12-3-2-4-13(9-12)17(20)21)14(22)10-5-7-11(8-6-10)16(18)19/h2-9H,1H3
InChIKey GWVJONQYSZBREI-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C14H11N3O4S
Exact Mass 317.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZDPlCOzWUN
Name Benzenecarbothioamide, N-methyl-4-nitro-N-(3-nitrophenyl)-
Alternate Name(s) N-Methyl-3'-nitro-4-nitro-thiobenzanilide N-methyl-4-nitro-N-(3-nitrophenyl)benzenecarbothioamide
CAS Registry Number 65052-78-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O4S
InChI InChI=1S/C14H11N3O4S/c1-15(12-3-2-4-13(9-12)17(20)21)14(22)10-5-7-11(8-6-10)16(18)19/h2-9H,1H3
InChIKey GWVJONQYSZBREI-UHFFFAOYSA-N
Molecular Weight 317.319 g/mol
SMILES c1(N(=O)=O)cc(N(C(c2ccc(N(=O)=O)cc2)=S)C)ccc1
SPLASH splash10-02t9-0904000000-55ac394b2d1f7d8b6035
Source of Spectrum O-12-186-1
Wiley ID 1317522