SpectraBase Spectrum ID |
7gbGmFZ36wk |
Name |
Dibenzylamine, 4-methyl-4'-nitro- |
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/c1-12-2-4-13(5-3-12)10-16-11-14-6-8-15(9-7-14)17(18)19/h2-9,16H,10-11H2,1H3 |
InChIKey |
AQPPLYLPDOHBJU-UHFFFAOYSA-N |
Molecular Weight |
256.305 g/mol |
SMILES |
C1=C(CNCC2=CC=C(C)C=C2)C=CC(=C1)N(=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910468 |