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N-butyl-2-sulfanilylpropionamide

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

N-butyl-2-sulfanilylpropionamide
SpectraBase Compound ID 1AZFysOxt5H
InChI InChI=1S/C13H20N2O3S/c1-3-4-9-15-13(16)10(2)19(17,18)12-7-5-11(14)6-8-12/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKey KSLGOSMGLFTWAX-UHFFFAOYSA-N
Mol Weight 284.37 g/mol
Molecular Formula C13H20N2O3S
Exact Mass 284.119464 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 46Eh32wBHGp
Name N-Butyl-2-sulfanilylpropionamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.119463683 u
Formula C13H20N2O3S
InChI InChI=1S/C13H20N2O3S/c1-3-4-9-15-13(16)10(2)19(17,18)12-7-5-11(14)6-8-12/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKey KSLGOSMGLFTWAX-UHFFFAOYSA-N
Molecular Weight 284.374 g/mol
SMILES NC1=CC=C(S(C(C(NCCCC)=O)C)(=O)=O)C=C1
Spectrum/Structure Validation Score (Raman) 0.851392