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N-[2-(butylamino)ethyl]-5-nitrosalicylamide

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 3 UV-Vis

N-[2-(butylamino)ethyl]-5-nitrosalicylamide
SpectraBase Compound ID Kg1A8AojJv1
InChI InChI=1S/C13H19N3O4/c1-2-3-6-14-7-8-15-13(18)11-9-10(16(19)20)4-5-12(11)17/h4-5,9,14,17H,2-3,6-8H2,1H3,(H,15,18)
InChIKey QSFSXUQLQKZADG-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C13H19N3O4
Exact Mass 281.137556 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID I43nrPrFkBI
Name N-[2-(Butylamino)ethyl]-5-nitrosalicylamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.137556100 u
Formula C13H19N3O4
InChI InChI=1S/C13H19N3O4/c1-2-3-6-14-7-8-15-13(18)11-9-10(16(19)20)4-5-12(11)17/h4-5,9,14,17H,2-3,6-8H2,1H3,(H,15,18)
InChIKey QSFSXUQLQKZADG-UHFFFAOYSA-N
Molecular Weight 281.312 g/mol
SMILES N(C(C=1C=C(C=CC1O)N(=O)=O)=O)CCNCCCC
Spectrum/Structure Validation Score (Raman) 0.928771