| SpectraBase Spectrum ID |
Bcf0GNoVx1a |
| Name |
Benzene, 1,3-dimethyl-2-(3-phenylpropyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.156500644 u |
| Formula |
C17H20 |
| InChI |
InChI=1S/C17H20/c1-14-8-6-9-15(2)17(14)13-7-12-16-10-4-3-5-11-16/h3-6,8-11H,7,12-13H2,1-2H3 |
| InChIKey |
FTOQTJQYWYBFLR-UHFFFAOYSA-N |
| Molecular Weight |
224.347 g/mol |
| SMILES |
C=1(C(=CC=CC1C)C)CCCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963444 |
