| SpectraBase Spectrum ID |
BT7CaiSKzy9 |
| Name |
Bisphenol C, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
648.098153338 u |
| Formula |
C25H18F14O4 |
| InChI |
InChI=1S/C25H18F14O4/c1-11-9-13(5-7-15(11)42-17(40)20(26,27)22(30,31)24(34,35)36)19(3,4)14-6-8-16(12(2)10-14)43-18(41)21(28,29)23(32,33)25(37,38)39/h5-10H,1-4H3 |
| InChIKey |
FPMMZKIGVBTRPM-UHFFFAOYSA-N |
| Molecular Weight |
648.393 g/mol |
| SMILES |
C(C)(C)(C1=CC(C)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C1=CC(C)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904067 |
