| SpectraBase Spectrum ID |
Dovsm086kUh |
| Name |
Biochanin A, trifluoroacetyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.050772557 u |
| Formula |
C18H11F3O6 |
| InChI |
InChI=1S/C18H11F3O6/c1-25-10-4-2-9(3-5-10)12-8-26-14-7-11(27-17(24)18(19,20)21)6-13(22)15(14)16(12)23/h2-8,22H,1H3 |
| InChIKey |
SXPIRKFPJRCDOM-UHFFFAOYSA-N |
| Molecular Weight |
380.275 g/mol |
| SMILES |
C1=2OC=C(C(C2C(O)=CC(OC(C(F)(F)F)=O)=C1)=O)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824733 |
