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N-(2-Methoxyphenyl)-2-nitrobenzenecarbothioamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(2-Methoxyphenyl)-2-nitrobenzenecarbothioamide
SpectraBase Compound ID CDJpNavU6Yw
InChI InChI=1S/C14H12N2O3S/c1-19-13-9-5-3-7-11(13)15-14(20)10-6-2-4-8-12(10)16(17)18/h2-9H,1H3,(H,15,20)
InChIKey WHFRTBUJBILXIA-UHFFFAOYSA-N
Mol Weight 288.32 g/mol
Molecular Formula C14H12N2O3S
Exact Mass 288.056863 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID K0lYoeRzlef
Name N-(2-Methoxyphenyl)-2-nitrobenzenecarbothioamide #
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.056863425 u
Formula C14H12N2O3S
InChI InChI=1S/C14H12N2O3S/c1-19-13-9-5-3-7-11(13)15-14(20)10-6-2-4-8-12(10)16(17)18/h2-9H,1H3,(H,15,20)
InChIKey WHFRTBUJBILXIA-UHFFFAOYSA-N
SMILES C1(=C(C=CC=C1)C(NC1=C(OC)C=CC=C1)=S)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827521