| SpectraBase Spectrum ID |
9yBXBQ3CwY4 |
| Name |
7,8-Dihydroxy-3,5,7-trimethyl-8,8A-dihydro-1H-isochromen-6-one, 2ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.125988358 u |
| Formula |
C16H20O6 |
| InChI |
InChI=1S/C16H20O6/c1-8-6-12-9(2)14(19)16(5,22-11(4)18)15(21-10(3)17)13(12)7-20-8/h6,13,15H,7H2,1-5H3 |
| InChIKey |
RQDVKMVEWZPTDU-UHFFFAOYSA-N |
| Molecular Weight |
308.330 g/mol |
| SMILES |
CC(=O)OC1(C(C(C)=C2C(COC(C)=C2)C1OC(C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884286 |
