| SpectraBase Spectrum ID |
1lKT6qRDu5T |
| Name |
2-Chloro-N-(1-phenylbut-3-enyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.097127219 u |
| Formula |
C16H16ClN |
| InChI |
InChI=1S/C16H16ClN/c1-2-8-15(13-9-4-3-5-10-13)18-16-12-7-6-11-14(16)17/h2-7,9-12,15,18H,1,8H2 |
| InChIKey |
DKBSXPUTJJLJAD-UHFFFAOYSA-N |
| Molecular Weight |
257.764 g/mol |
| SMILES |
C=1(NC(CC=C)C=2C=CC=CC2)C(=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852176 |
