| SpectraBase Spectrum ID |
A9fSBAeXbUv |
| Name |
6-Hydroxy-5-methoxy-6-methyl-2,4-cyclohexadien-1-one, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.073558862 u |
| Formula |
C10H12O4 |
| InChI |
InChI=1S/C10H12O4/c1-7(11)14-10(2)8(12)5-4-6-9(10)13-3/h4-6H,1-3H3 |
| InChIKey |
MZOLATUQTNBWEV-UHFFFAOYSA-N |
| Molecular Weight |
196.202 g/mol |
| SMILES |
C=1C(C(C(=CC1)OC)(OC(C)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.835936 |
