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2-(4-Methoxy-3-nitro-benzylsulfanyl)-N-phenyl-acetamide

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

2-(4-Methoxy-3-nitro-benzylsulfanyl)-N-phenyl-acetamide
SpectraBase Compound ID Buy9AjY9OlJ
InChI InChI=1S/C16H16N2O4S/c1-22-15-8-7-12(9-14(15)18(20)21)10-23-11-16(19)17-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey XXKITQMPMORORL-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C16H16N2O4S
Exact Mass 332.083078 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ins151rXfkp
Name 2-(4-Methoxy-3-nitro-benzylsulfanyl)-N-phenyl-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.083078173 u
Formula C16H16N2O4S
InChI InChI=1S/C16H16N2O4S/c1-22-15-8-7-12(9-14(15)18(20)21)10-23-11-16(19)17-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey XXKITQMPMORORL-UHFFFAOYSA-N
Molecular Weight 332.374 g/mol
SMILES C1=CC=C(C=C1)NC(CSCC1=CC(N(=O)=O)=C(C=C1)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915616