| SpectraBase Spectrum ID |
JGphBOR9CtX |
| Name |
N-(Phenylmethyl)-N-{[3'-(phenylmethyl)amino]propyl}propane-1,3-diamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.236147946 u |
| Formula |
C20H29N3 |
| InChI |
InChI=1S/C20H29N3/c21-13-7-15-23(18-20-11-5-2-6-12-20)16-8-14-22-17-19-9-3-1-4-10-19/h1-6,9-12,22H,7-8,13-18,21H2 |
| InChIKey |
YTYCZQAHSPZPCO-UHFFFAOYSA-N |
| SMILES |
C(N(CCCNCC=1C=CC=CC1)CCCN)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98441 |
![N-(Phenylmethyl)-N-{[3'-(phenylmethyl)amino]propyl}propane-1,3-diamine](/api/spectrum/JGphBOR9CtX/structure.png?h=300&w=458 "N-(Phenylmethyl)-N-{[3'-(phenylmethyl)amino]propyl}propane-1,3-diamine")
