| SpectraBase Spectrum ID |
E95L4XS5Rih |
| Name |
Flavanone, 3-hydroxy-2',4',5,7-tetramethoxy-, acetate, trans- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.131467660 u |
| Formula |
C21H22O8 |
| InChI |
InChI=1S/C21H22O8/c1-11(22)28-21-19(23)18-16(27-5)9-13(25-3)10-17(18)29-20(21)14-7-6-12(24-2)8-15(14)26-4/h6-10,20-21H,1-5H3/t20-,21+/m0/s1 |
| InChIKey |
JTHVOGPDDBAEJZ-LEWJYISDSA-N |
| Molecular Weight |
402.399 g/mol |
| SMILES |
C1(=O)C2=C(O[C@]([C@@]1(OC(C)=O)[H])(C1=C(OC)C=C(C=C1)OC)[H])C=C(C=C2OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909401 |
