| SpectraBase Spectrum ID |
CICB3C1vI63 |
| Name |
4-[(E)-alpha-Chlorobenzyliden]-3,5,5-trimethyl-1-cyclohexene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.117528312 u |
| Formula |
C16H19Cl |
| InChI |
InChI=1S/C16H19Cl/c1-12-8-7-11-16(2,3)14(12)15(17)13-9-5-4-6-10-13/h4-10,12H,11H2,1-3H3/b15-14+ |
| InChIKey |
HTUMBIWOLIMEGP-CCEZHUSRSA-N |
| Molecular Weight |
246.781 g/mol |
| SMILES |
C=1CC(\C(C(C1)C)=C/(Cl)C1=CC=CC=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836836 |
![4-[(E)-alpha-Chlorobenzyliden]-3,5,5-trimethyl-1-cyclohexene](/api/spectrum/CICB3C1vI63/structure.png?h=300&w=458 "4-[(E)-alpha-Chlorobenzyliden]-3,5,5-trimethyl-1-cyclohexene")
