| SpectraBase Spectrum ID |
BxICHH9jzpB |
| Name |
(E)-2-(4-Chlorostyryl)cyclohex-2-enone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.065492738 u |
| Formula |
C14H13ClO |
| InChI |
InChI=1S/C14H13ClO/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h3,5-10H,1-2,4H2/b8-5+ |
| InChIKey |
IZGJHVVIWHUWOO-VMPITWQZSA-N |
| Molecular Weight |
232.710 g/mol |
| SMILES |
C=1C=C(C=CC1\C=C\C=1C(CCCC1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933684 |
