| SpectraBase Spectrum ID |
8JLo37j0Xa3 |
| Name |
3,4',5-Trihydroxy-7-methoxyflavanone, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.110732215 u |
| Formula |
C22H20O9 |
| InChI |
InChI=1S/C22H20O9/c1-11(23)28-15-7-5-14(6-8-15)21-22(30-13(3)25)20(26)19-17(29-12(2)24)9-16(27-4)10-18(19)31-21/h5-10,21-22H,1-4H3/t21-,22+/m1/s1 |
| InChIKey |
VDXFOVLJUAXJRD-YADHBBJMSA-N |
| Molecular Weight |
428.393 g/mol |
| SMILES |
C1(=CC(=C2C([C@@]([C@](OC2=C1)(C1=CC=C(C=C1)OC(=O)C)[H])(OC(=O)C)[H])=O)OC(=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926363 |
