| SpectraBase Spectrum ID |
4pUyjwU9jMu |
| Name |
Succinic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
319.987106351 u |
| Formula |
C9H12BrF3O4 |
| InChI |
InChI=1S/C9H12BrF3O4/c1-2-16-7(14)3-4-8(15)17-6(5-10)9(11,12)13/h6H,2-5H2,1H3 |
| InChIKey |
FHYCJGWPEZMKPJ-UHFFFAOYSA-N |
| Molecular Weight |
321.090 g/mol |
| SMILES |
C(CC(OCC)=O)C(OC(CBr)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966509 |
