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N-Benzyl-2-ethylsulfanyl-4-nitro-benzamide

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

N-Benzyl-2-ethylsulfanyl-4-nitro-benzamide
SpectraBase Compound ID Y7DvQdMGwe
InChI InChI=1S/C16H16N2O3S/c1-2-22-15-10-13(18(20)21)8-9-14(15)16(19)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19)
InChIKey KKPUKKVYPDPZRO-UHFFFAOYSA-N
Mol Weight 316.38 g/mol
Molecular Formula C16H16N2O3S
Exact Mass 316.088164 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2Z9dx9aej0Z
Name N-Benzyl-2-ethylsulfanyl-4-nitro-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.088163554 u
Formula C16H16N2O3S
InChI InChI=1S/C16H16N2O3S/c1-2-22-15-10-13(18(20)21)8-9-14(15)16(19)17-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,17,19)
InChIKey KKPUKKVYPDPZRO-UHFFFAOYSA-N
Molecular Weight 316.375 g/mol
SMILES C1=CC=C(C=C1)CNC(C1=CC=C(C=C1SCC)N(=O)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853818