| SpectraBase Spectrum ID |
8ZdLPojJiq5 |
| Name |
4H-1-Benzopyran-4-one, 3-acetyl-7-(acetyloxy)-5-hydroxy-2-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.063388100 u |
| Formula |
C14H12O6 |
| InChI |
InChI=1S/C14H12O6/c1-6(15)12-7(2)19-11-5-9(20-8(3)16)4-10(17)13(11)14(12)18/h4-5,17H,1-3H3 |
| InChIKey |
GNOCDKZZVCBSLX-UHFFFAOYSA-N |
| Molecular Weight |
276.244 g/mol |
| SMILES |
C1(=O)C2=C(C=C(C=C2O)OC(C)=O)OC(=C1C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977074 |
