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5-Nitro-2-(prop-2'-enylamino)-benzamide

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

5-Nitro-2-(prop-2'-enylamino)-benzamide
SpectraBase Compound ID GiqtJLPssw7
InChI InChI=1S/C10H11N3O3/c1-2-5-12-9-4-3-7(13(15)16)6-8(9)10(11)14/h2-4,6,12H,1,5H2,(H2,11,14)
InChIKey XUQTWEKEZZDJRV-UHFFFAOYSA-N
Mol Weight 221.22 g/mol
Molecular Formula C10H11N3O3
Exact Mass 221.080041 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IUBh0S3rzuY
Name 5-Nitro-2-(prop-2'-enylamino)-benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.080041223 u
Formula C10H11N3O3
InChI InChI=1S/C10H11N3O3/c1-2-5-12-9-4-3-7(13(15)16)6-8(9)10(11)14/h2-4,6,12H,1,5H2,(H2,11,14)
InChIKey XUQTWEKEZZDJRV-UHFFFAOYSA-N
Molecular Weight 221.216 g/mol
SMILES C=1(N(=O)=O)C=CC(=C(C1)C(=O)N)NCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965542