| SpectraBase Spectrum ID |
6pV5DPRWUel |
| Name |
2H-1-Benzopyran-2-one, 4-acetyl-7-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.057908798 u |
| Formula |
C12H10O4 |
| InChI |
InChI=1S/C12H10O4/c1-7(13)10-6-12(14)16-11-5-8(15-2)3-4-9(10)11/h3-6H,1-2H3 |
| InChIKey |
HRFAULWZGJAWAV-UHFFFAOYSA-N |
| Molecular Weight |
218.208 g/mol |
| SMILES |
C=1(C=2C(=CC(=CC2)OC)OC(C1)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963406 |
