| SpectraBase Spectrum ID |
Fxx95fHF3rj |
| Name |
1,3-Propanediamine, N,1,3-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.178298716 u |
| Formula |
C21H22N2 |
| InChI |
InChI=1S/C21H22N2/c22-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)23-19-14-8-3-9-15-19/h1-15,20-21,23H,16,22H2 |
| InChIKey |
RBCNMDXDHKRRCH-UHFFFAOYSA-N |
| SMILES |
C1=CC=C(C=C1)C(CC(N)C1=CC=CC=C1)NC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98859 |