| SpectraBase Spectrum ID |
1VxP4Wz3L7U |
| Name |
2-Propen-1-one, 3-(4-chlorophenyl)-1-(2-hydroxy-5-methyl-phenyl)-; chalcone, 4-chloro-2'-hydroxy-5'-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.060407357 u |
| Formula |
C16H13ClO2 |
| InChI |
InChI=1S/C16H13ClO2/c1-11-2-8-15(18)14(10-11)16(19)9-5-12-3-6-13(17)7-4-12/h2-10,18H,1H3/b9-5+ |
| InChIKey |
RUEZDYKXSCQWCS-WEVVVXLNSA-N |
| Molecular Weight |
272.731 g/mol |
| SMILES |
OC1=CC=C(C=C1C(\C=C\C1=CC=C(C=C1)Cl)=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.864828 |
