| SpectraBase Spectrum ID |
3yx7NTbNuN2 |
| Name |
(1-Methyl-5-phenyl-pentyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.172150708 u |
| Formula |
C18H22 |
| InChI |
InChI=1S/C18H22/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,11-12,14-16H,8-10,13H2,1H3 |
| InChIKey |
VYCJGZZMZFJPAZ-UHFFFAOYSA-N |
| Molecular Weight |
238.374 g/mol |
| SMILES |
C1(C(CCCCC=2C=CC=CC2)C)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945106 |
