| SpectraBase Spectrum ID |
3RqmEws63pm |
| Name |
Succinic acid, 3-methylbut-2-en-1-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 |
360.018406480 u |
| Formula |
C12H16BrF3O4 |
| InChI |
InChI=1S/C12H16BrF3O4/c1-8(2)5-6-19-10(17)3-4-11(18)20-9(7-13)12(14,15)16/h5,9H,3-4,6-7H2,1-2H3 |
| InChIKey |
BKGAOIMVEOTFFV-UHFFFAOYSA-N |
| Molecular Weight |
361.155 g/mol |
| SMILES |
C(CC(OCC=C(C)C)=O)C(OC(CBr)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889058 |
