SpectraBase Spectrum ID |
J5zOlYeyJJT |
Name |
Propane-1,3-diamine, N,N'-dibenzyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.178298716 u |
Formula |
C17H22N2 |
InChI |
InChI=1S/C17H22N2/c1-3-8-16(9-4-1)14-18-12-7-13-19-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2 |
InChIKey |
RXLUOFXICZSZIB-UHFFFAOYSA-N |
Molecular Weight |
254.377 g/mol |
SMILES |
C1=C(C=CC=C1)CNCCCNCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992456 |