| SpectraBase Spectrum ID |
1YKrNhS9BNw |
| Name |
(1-Chloranyl-5-phenyl-pentyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.117528312 u |
| Formula |
C17H19Cl |
| InChI |
InChI=1S/C17H19Cl/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,17H,7-8,11,14H2 |
| InChIKey |
LVQKQPHWOAIJFU-UHFFFAOYSA-N |
| Molecular Weight |
258.792 g/mol |
| SMILES |
C1(C(Cl)CCCCC=2C=CC=CC2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983197 |
