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2'-Bromo-6'-[(2,4-dinitrophenyl)thio]-p-formotoluidide

View entire compound with spectra: 1 FTIR, and 1 Raman

2'-Bromo-6'-[(2,4-dinitrophenyl)thio]-p-formotoluidide
SpectraBase Compound ID IT9VqywRV7r
InChI InChI=1S/C14H10BrN3O5S/c1-8-4-10(15)14(16-7-19)13(5-8)24-12-3-2-9(17(20)21)6-11(12)18(22)23/h2-7H,1H3,(H,16,19)
InChIKey PLXLJBSNKRHUIJ-UHFFFAOYSA-N
Mol Weight 412.21 g/mol
Molecular Formula C14H10BrN3O5S
Exact Mass 410.952455 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4dTKxrNb2ud
Name 2'-Bromo-6'-[(2,4-dinitrophenyl)thio]-p-formotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.952454603 u
Formula C14H10BrN3O5S
InChI InChI=1S/C14H10BrN3O5S/c1-8-4-10(15)14(16-7-19)13(5-8)24-12-3-2-9(17(20)21)6-11(12)18(22)23/h2-7H,1H3,(H,16,19)
InChIKey PLXLJBSNKRHUIJ-UHFFFAOYSA-N
Molecular Weight 412.214 g/mol
SMILES N(C1=C(Br)C=C(C)C=C1SC1=CC=C(C=C1N(=O)=O)N(=O)=O)C=O
Spectrum/Structure Validation Score (Raman) 0.848838