| SpectraBase Spectrum ID |
EMAvus9h9Kh |
| Name |
2H-1-Benzopyran-2-one, 6-acetyl-7-(acetyloxy)-4-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.068473481 u |
| Formula |
C14H12O5 |
| InChI |
InChI=1S/C14H12O5/c1-7-4-14(17)19-12-6-13(18-9(3)16)11(8(2)15)5-10(7)12/h4-6H,1-3H3 |
| InChIKey |
UVCKRQWAYCEHQQ-UHFFFAOYSA-N |
| Molecular Weight |
260.245 g/mol |
| SMILES |
C1=C(C(=CC2=C1OC(C=C2C)=O)C(=O)C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969929 |
