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N-(cyclopropylmethyl)-2,6-dimethoxy-3-nitrobenzamide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

N-(cyclopropylmethyl)-2,6-dimethoxy-3-nitrobenzamide
SpectraBase Compound ID Jx9fTPIbsSF
InChI InChI=1S/C13H16N2O5/c1-19-10-6-5-9(15(17)18)12(20-2)11(10)13(16)14-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)
InChIKey URDBZXJBVONRQA-UHFFFAOYSA-N
Mol Weight 280.28 g/mol
Molecular Formula C13H16N2O5
Exact Mass 280.105922 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6BltRIPlO7O
Name N-(Cyclopropylmethyl)-2,6-dimethoxy-3-nitrobenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.105921618 u
Formula C13H16N2O5
InChI InChI=1S/C13H16N2O5/c1-19-10-6-5-9(15(17)18)12(20-2)11(10)13(16)14-7-8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,14,16)
InChIKey URDBZXJBVONRQA-UHFFFAOYSA-N
Molecular Weight 280.280 g/mol
SMILES N(C(C1=C(C(=CC=C1OC)N(=O)=O)OC)=O)CC1CC1
Spectrum/Structure Validation Score (Raman) 0.97525