| SpectraBase Spectrum ID |
ISLascFm074 |
| Name |
5,7-Diacetoxy-6-methoxy-3-(4'-methoxyphenyl)-4H-1-benzopyran-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.100167532 u |
| Formula |
C21H18O8 |
| InChI |
InChI=1S/C21H18O8/c1-11(22)28-17-9-16-18(21(20(17)26-4)29-12(2)23)19(24)15(10-27-16)13-5-7-14(25-3)8-6-13/h5-10H,1-4H3 |
| InChIKey |
PSDUEZZJCFRGBW-UHFFFAOYSA-N |
| Molecular Weight |
398.367 g/mol |
| SMILES |
C=12OC=C(C(C2=C(C(OC)=C(C1)OC(=O)C)OC(=O)C)=O)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88339 |
