| SpectraBase Spectrum ID |
LgMGK0rSUru |
| Name |
4,4'-Dimethyl-2,2'-methylenediphenol, 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/c1-10-3-5-14(40-16(38)18(24,25)20(28,29)22(32,33)34)12(7-10)9-13-8-11(2)4-6-15(13)41-17(39)19(26,27)21(30,31)23(35,36)37/h3-8H,9H2,1-2H3 |
| InChIKey |
NNUGJCPMDOGGDS-UHFFFAOYSA-N |
| Molecular Weight |
620.339 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1)C)CC1=C(C=CC(=C1)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820064 |
