| SpectraBase Spectrum ID |
DnRjISbkg7R |
| Name |
(8-Acetyl-3-ethyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl) benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.115423675 u |
| Formula |
C21H18O5 |
| InChI |
InChI=1S/C21H18O5/c1-4-15-12(2)16-10-11-17(18(13(3)22)19(16)26-21(15)24)25-20(23)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3 |
| InChIKey |
YVPPMEFEWOOVFG-UHFFFAOYSA-N |
| Molecular Weight |
350.370 g/mol |
| SMILES |
C(C=1C=CC=CC1)(=O)OC=1C(=C2C(C(=C(C(O2)=O)CC)C)=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.819001 |
