| SpectraBase Spectrum ID |
H2GObz7YFCm |
| Name |
Diethylmalonic 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 |
362.034056545 u |
| Formula |
C12H18BrF3O4 |
| InChI |
InChI=1S/C12H18BrF3O4/c1-4-11(5-2,9(17)19-6-3)10(18)20-8(7-13)12(14,15)16/h8H,4-7H2,1-3H3 |
| InChIKey |
SHELHCHMXZRKSG-UHFFFAOYSA-N |
| Molecular Weight |
363.171 g/mol |
| SMILES |
C(C(C(OCC)=O)(CC)CC)(OC(C(F)(F)F)CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971615 |
