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α-(1-Nitroethyl)-N-phenylbenzylamine

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

α-(1-Nitroethyl)-N-phenylbenzylamine
SpectraBase Compound ID GJETkowXYuL
InChI InChI=1S/C15H16N2O2/c1-12(17(18)19)15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKey KPWGKOUMHXHILH-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C15H16N2O2
Exact Mass 256.121178 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6RqNYJ6oVNc
Name α-(1-Nitroethyl)-N-phenylbenzylamine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.121177761 u
Formula C15H16N2O2
InChI InChI=1S/C15H16N2O2/c1-12(17(18)19)15(13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h2-12,15-16H,1H3
InChIKey KPWGKOUMHXHILH-UHFFFAOYSA-N
Molecular Weight 256.305 g/mol
SMILES N(C(C(C)N(=O)=O)C=1C=CC=CC1)C=1C=CC=CC1
Spectrum/Structure Validation Score (Raman) 0.981651