SpectraBase Spectrum ID |
DzThpgnwFmS |
Name |
1-(3-Aminophenyl)-3-(4-chlorophenyl)propane; benzenamine, 3-[3-(4-chlorophenyl)propyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
245.097127219 u |
Formula |
C15H16ClN |
InChI |
InChI=1S/C15H16ClN/c16-14-9-7-12(8-10-14)3-1-4-13-5-2-6-15(17)11-13/h2,5-11H,1,3-4,17H2 |
InChIKey |
NHYCBODHQXLMEQ-UHFFFAOYSA-N |
Molecular Weight |
245.753 g/mol |
SMILES |
NC=1C=C(C=CC1)CCCC1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Raman) |
0.838292 |