| SpectraBase Spectrum ID |
A5f3lE4Mzv |
| Name |
2-(2-Isopropenyl-5-methyl-phenyl)benzaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.120115134 u |
| Formula |
C17H16O |
| InChI |
InChI=1S/C17H16O/c1-12(2)15-9-8-13(3)10-17(15)16-7-5-4-6-14(16)11-18/h4-11H,1H2,2-3H3 |
| InChIKey |
HTTVQIVUNMANHW-UHFFFAOYSA-N |
| Molecular Weight |
236.314 g/mol |
| SMILES |
C=1(C(=CC=CC1)C=O)C=1C(=CC=C(C1)C)C(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896542 |
