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4,4'-dinitro-N-methylthiobenzanilide
SpectraBase Compound ID AJoSyYuZoP1
InChI InChI=1S/C14H11N3O4S/c1-15(11-6-8-13(9-7-11)17(20)21)14(22)10-2-4-12(5-3-10)16(18)19/h2-9H,1H3
InChIKey NYYRVZAHHAKFGA-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 FX9rNbtACgf
Name Benzenecarbothioamide, N-methyl-4-nitro-N-(4-nitrophenyl)-
CAS Registry Number 65052-77-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N3O4S
InChI InChI=1S/C14H11N3O4S/c1-15(11-6-8-13(9-7-11)17(20)21)14(22)10-2-4-12(5-3-10)16(18)19/h2-9H,1H3
InChIKey NYYRVZAHHAKFGA-UHFFFAOYSA-N
Molecular Weight 317.319 g/mol
SMILES c1(N(=O)=O)ccc(N(C(c2ccc(N(=O)=O)cc2)=S)C)cc1
SPLASH splash10-02t9-0902000000-9f12812241fcc40ce0c8
Source of Spectrum O-12-186-1
Synonyms N-methyl-4-nitro-N-(4-nitrophenyl)benzenecarbothioamide
Wiley ID 1317521