| SpectraBase Spectrum ID |
8mvOIVLz07D |
| Name |
1-Chloro-3-hydroxy-4-(4'-methoxyphenyl)-3-buten-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.039671911 u |
| Formula |
C11H11ClO3 |
| InChI |
InChI=1S/C11H11ClO3/c1-15-9-4-2-8(3-5-9)6-10(13)11(14)7-12/h2-6,13H,7H2,1H3/b10-6- |
| InChIKey |
SGQUVRDKLXXHDV-POHAHGRESA-N |
| Molecular Weight |
226.659 g/mol |
| SMILES |
C1(\C=C\(C(=O)CCl)O)=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941793 |
