| SpectraBase Spectrum ID |
36lbLjfUFgZ |
| Name |
3,4'-Isopropylidenediphenol, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
620.066853209 u |
| Formula |
C23H14F14O4 |
| InChI |
InChI=1S/C23H14F14O4/c1-17(2,11-6-8-13(9-7-11)40-15(38)18(24,25)20(28,29)22(32,33)34)12-4-3-5-14(10-12)41-16(39)19(26,27)21(30,31)23(35,36)37/h3-10H,1-2H3 |
| InChIKey |
MGUMEUHFTKUEKR-UHFFFAOYSA-N |
| Molecular Weight |
620.339 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=CC(=CC=C1)C(C)(C)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932778 |
