SpectraBase Spectrum ID |
FUxbEJ7mIJ4 |
Name |
1,2-Diphenylethylamine form |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.115364106 u |
Formula |
C15H15NO |
InChI |
InChI=1S/C15H15NO/c17-12-16-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,12,15H,11H2,(H,16,17) |
InChIKey |
OPNNTJAQPMLFDO-UHFFFAOYSA-N |
Molecular Weight |
225.291 g/mol |
SMILES |
C(C=1C=CC=CC1)(NC=O)CC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890644 |