| SpectraBase Spectrum ID |
4matscEshq |
| Name |
(3R,4R)-4,8-Dihydroxy-6-methoxy-3-methyl-3,4-dihydroisochromen-1-one, ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.079038165 u |
| Formula |
C13H14O6 |
| InChI |
InChI=1S/C13H14O6/c1-6-12(19-7(2)14)9-4-8(17-3)5-10(15)11(9)13(16)18-6/h4-6,12,15H,1-3H3/t6-,12+/m1/s1 |
| InChIKey |
QDIUFMMKAXAOQO-INWYIAFRSA-N |
| Molecular Weight |
266.249 g/mol |
| SMILES |
[C@]1(OC(C2=C(C=C(C=C2[C@]1(OC(=O)C)[H])OC)O)=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910724 |
