| SpectraBase Spectrum ID |
6OYvRmyX0Mo |
| Name |
(S,S)-(-)-hydrobenzoin, bis(pentafluoropropionate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
506.057590492 u |
| Formula |
C20H12F10O4 |
| InChI |
InChI=1S/C20H12F10O4/c21-17(22,19(25,26)27)15(31)33-13(11-7-3-1-4-8-11)14(12-9-5-2-6-10-12)34-16(32)18(23,24)20(28,29)30/h1-10,13-14H |
| InChIKey |
BDVHDKWQMVEAOC-UHFFFAOYSA-N |
| Molecular Weight |
506.296 g/mol |
| SMILES |
C(C(OC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1)(OC(C(C(F)(F)F)(F)F)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979815 |
