| SpectraBase Spectrum ID |
3Q5NWbkdZ4g |
| Name |
2H-1-Benzopyran-3-carboxylic acid, 6-(acetyloxy)-5,7,8-trimethyl-2-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.079038165 u |
| Formula |
C15H14O6 |
| InChI |
InChI=1S/C15H14O6/c1-6-7(2)13-10(8(3)12(6)20-9(4)16)5-11(14(17)18)15(19)21-13/h5H,1-4H3,(H,17,18) |
| InChIKey |
KEZGSJSSBLYFNJ-UHFFFAOYSA-N |
| SMILES |
CC(=O)OC1=C(C)C(C)=C2C(=C1C)C=C(C(O2)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936775 |
