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Benzamide, 4-nitro-N-ethyl-N-isobutyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Benzamide, 4-nitro-N-ethyl-N-isobutyl-
SpectraBase Compound ID 17VlDmdAR8J
InChI InChI=1S/C13H18N2O3/c1-4-14(9-10(2)3)13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,4,9H2,1-3H3
InChIKey PTYTUOSZTQYFEG-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C13H18N2O3
Exact Mass 250.131742 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7TKwPkyetl5
Name Benzamide, 4-nitro-N-ethyl-N-isobutyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.131742445 u
Formula C13H18N2O3
InChI InChI=1S/C13H18N2O3/c1-4-14(9-10(2)3)13(16)11-5-7-12(8-6-11)15(17)18/h5-8,10H,4,9H2,1-3H3
InChIKey PTYTUOSZTQYFEG-UHFFFAOYSA-N
Molecular Weight 250.298 g/mol
SMILES C1=CC(=CC=C1C(N(CC)CC(C)C)=O)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858412