| SpectraBase Spectrum ID |
5GoEPyIsynb |
| Name |
Succinic acid, 1,1,1-trifluoroprop-2-yl 1-bromo-3,3,3-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.974490808 u |
| Formula |
C10H11BrF6O4 |
| InChI |
InChI=1S/C10H11BrF6O4/c1-5(9(12,13)14)20-7(18)2-3-8(19)21-6(4-11)10(15,16)17/h5-6H,2-4H2,1H3 |
| InChIKey |
PEJWYSLJAQCNSK-UHFFFAOYSA-N |
| Molecular Weight |
389.088 g/mol |
| SMILES |
C(CC(OC(C)C(F)(F)F)=O)C(OC(CBr)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909188 |
