| SpectraBase Spectrum ID |
6I311lkiXAy |
| Name |
6-Acetyl-7,8-dihydroxy-2,2-dimethylchroman |
| 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/c1-7(14)9-6-8-4-5-13(2,3)17-12(8)11(16)10(9)15/h6,15-16H,4-5H2,1-3H3 |
| InChIKey |
GATLZWGBKGWDAZ-UHFFFAOYSA-N |
| Molecular Weight |
236.267 g/mol |
| SMILES |
C1(CCC=2C=C(C(=C(C2O1)O)O)C(=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941925 |
