| SpectraBase Spectrum ID |
9zIr4XYdeUx |
| Name |
Irigenin, trimethyl ether |
| 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/c1-23-14-7-11(8-15(24-2)19(14)26-4)12-10-29-13-9-16(25-3)20(27-5)21(28-6)17(13)18(12)22/h7-10H,1-6H3 |
| InChIKey |
NCEXCGUAXVAJMI-UHFFFAOYSA-N |
| Molecular Weight |
402.399 g/mol |
| SMILES |
C1=C(C(=O)C2=C(C(=C(C=C2O1)OC)OC)OC)C1=CC(=C(C(=C1)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906455 |
