| SpectraBase Spectrum ID |
8OlGpduUWwh |
| Name |
2-Hydroxy-1,1-dimethoxy-5-phenylpent-4-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.104858991 u |
| Formula |
C13H16O4 |
| InChI |
InChI=1S/C13H16O4/c1-16-13(17-2)12(15)11(14)9-8-10-6-4-3-5-7-10/h3-9,12-13,15H,1-2H3/b9-8+ |
| InChIKey |
UCNFCEQLRWQVIM-CMDGGOBGSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C(C(C(\C=C\C=1C=CC=CC1)=O)O)(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950468 |
