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N,N-Dimethyl-p-nitrobenzepropanamide

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

N,N-Dimethyl-p-nitrobenzepropanamide
SpectraBase Compound ID Ei8Ag7d4VR
InChI InChI=1S/C11H14N2O3/c1-12(2)11(14)8-5-9-3-6-10(7-4-9)13(15)16/h3-4,6-7H,5,8H2,1-2H3
InChIKey GJZXENFAGAGUBL-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C11H14N2O3
Exact Mass 222.100442 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IdCwiPgPwrN
Name N,N-Dimethyl-p-nitrobenzepropanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.100442316 u
Formula C11H14N2O3
InChI InChI=1S/C11H14N2O3/c1-12(2)11(14)8-5-9-3-6-10(7-4-9)13(15)16/h3-4,6-7H,5,8H2,1-2H3
InChIKey GJZXENFAGAGUBL-UHFFFAOYSA-N
Molecular Weight 222.244 g/mol
SMILES C1(N(=O)=O)=CC=C(C=C1)CCC(N(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936069