| SpectraBase Spectrum ID |
EDFDdNDlow5 |
| Name |
2-Penten-1-one, 1-(4-chlorophenyl)-4-methyl-; 2-pentenophenone, 4'-chloro-4-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.065492738 u |
| Formula |
C12H13ClO |
| InChI |
InChI=1S/C12H13ClO/c1-9(2)3-8-12(14)10-4-6-11(13)7-5-10/h3-9H,1-2H3/b8-3+ |
| InChIKey |
YYIFZLFEEABUSK-FPYGCLRLSA-N |
| Molecular Weight |
208.688 g/mol |
| SMILES |
C1=C(C=CC(=C1)Cl)C(\C=C\C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.924112 |
