| SpectraBase Spectrum ID |
HJuX66je9px |
| Name |
3-(2,6-Dihydroxyphenyl)-4-hydroxy-6-methyl-3H-2-benzofuran-1-one triacetate |
| 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/c1-10-8-14-18(17(9-10)28-13(4)24)20(29-21(14)25)19-15(26-11(2)22)6-5-7-16(19)27-12(3)23/h5-9,20H,1-4H3 |
| InChIKey |
LPSOUJFVHWYNHD-UHFFFAOYSA-N |
| Molecular Weight |
398.367 g/mol |
| SMILES |
C12=C(C=C(C=C2C(=O)OC1C=1C(OC(C)=O)=CC=CC1OC(C)=O)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913316 |
