| SpectraBase Spectrum ID |
EXy3MTww7Fl |
| Name |
Daidzein, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
646.009732254 u |
| Formula |
C23H8F14O6 |
| InChI |
InChI=1S/C23H8F14O6/c24-18(25,20(28,29)22(32,33)34)16(39)42-10-3-1-9(2-4-10)13-8-41-14-7-11(5-6-12(14)15(13)38)43-17(40)19(26,27)21(30,31)23(35,36)37/h1-8H |
| InChIKey |
XCWYBGPHYVXFDR-UHFFFAOYSA-N |
| Molecular Weight |
646.289 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=1C(=O)C2=C(C=C(C=C2)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850872 |
