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N-Isopropyl-3,5-dinitrobenzamide

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

N-Isopropyl-3,5-dinitrobenzamide
SpectraBase Compound ID LRxppTfvzaT
InChI InChI=1S/C10H11N3O5/c1-6(2)11-10(14)7-3-8(12(15)16)5-9(4-7)13(17)18/h3-6H,1-2H3,(H,11,14)
InChIKey HDBVLHIQSYYAII-UHFFFAOYSA-N
Mol Weight 253.21 g/mol
Molecular Formula C10H11N3O5
Exact Mass 253.06987 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LPqKyB8F5B
Name N-Isopropyl-3,5-dinitrobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.069870461 u
Formula C10H11N3O5
InChI InChI=1S/C10H11N3O5/c1-6(2)11-10(14)7-3-8(12(15)16)5-9(4-7)13(17)18/h3-6H,1-2H3,(H,11,14)
InChIKey HDBVLHIQSYYAII-UHFFFAOYSA-N
Molecular Weight 253.214 g/mol
SMILES C1(N(=O)=O)=CC(=CC(=C1)C(=O)NC(C)C)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.897991