| SpectraBase Spectrum ID |
3WrW9juDeMs |
| Name |
4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2,2-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.073558862 u |
| Formula |
C11H12O4 |
| InChI |
InChI=1S/C11H12O4/c1-11(2)5-8(14)10-7(13)3-6(12)4-9(10)15-11/h3-4,12-13H,5H2,1-2H3 |
| InChIKey |
JFWGYKRUMPKNKF-UHFFFAOYSA-N |
| Molecular Weight |
208.213 g/mol |
| SMILES |
C1=2C(CC(OC2C=C(C=C1O)O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961185 |
