| SpectraBase Spectrum ID |
f2wDrIxwef |
| Name |
(3-Nitro-benzyl)-o-tolyl-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.105527697 u |
| Formula |
C14H14N2O2 |
| InChI |
InChI=1S/C14H14N2O2/c1-11-5-2-3-8-14(11)15-10-12-6-4-7-13(9-12)16(17)18/h2-9,15H,10H2,1H3 |
| InChIKey |
PZMHFEAVCWYYLO-UHFFFAOYSA-N |
| Molecular Weight |
242.278 g/mol |
| SMILES |
C1=CC=C(C(=C1)C)NCC=1C=C(N(=O)=O)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967695 |
