| SpectraBase Spectrum ID |
K6hDb1iaW2B |
| Name |
5,7-Dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl methyl ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.089208927 u |
| Formula |
C13H14O4 |
| InChI |
InChI=1S/C13H14O4/c1-7(14)11-10(16)6-9(15)8-4-5-13(2,3)17-12(8)11/h4-6,15-16H,1-3H3 |
| InChIKey |
QAOBSFBJMSLLGM-UHFFFAOYSA-N |
| Molecular Weight |
234.251 g/mol |
| SMILES |
OC1=C(C=2OC(C=CC2C(=C1)O)(C)C)C(=O)C |
| Spectrum/Structure Validation Score (Raman) |
0.845587 |
