| SpectraBase Spectrum ID |
7U0z8HYS7Zk |
| Name |
2,2'-Dihydroxybenzophenone, bis(heptafluorobutyrate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.014817635 u |
| Formula |
C21H8F14O5 |
| InChI |
InChI=1S/C21H8F14O5/c22-16(23,18(26,27)20(30,31)32)14(37)39-11-7-3-1-5-9(11)13(36)10-6-2-4-8-12(10)40-15(38)17(24,25)19(28,29)21(33,34)35/h1-8H |
| InChIKey |
MWHZPRGYZBITID-UHFFFAOYSA-N |
| Molecular Weight |
606.268 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1)C(=O)C1=C(C=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958228 |
