| SpectraBase Spectrum ID |
JQzrmcPg6ZJ |
| Name |
Tert-butyl 2-bromo-3-(trifluoromethyl)non-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.075527435 u |
| Formula |
C14H22BrF3O2 |
| InChI |
InChI=1S/C14H22BrF3O2/c1-5-6-7-8-9-10(14(16,17)18)11(15)12(19)20-13(2,3)4/h5-9H2,1-4H3/b11-10+ |
| InChIKey |
PJIGHWCDRPXNMA-ZHACJKMWSA-N |
| Molecular Weight |
359.227 g/mol |
| SMILES |
C(\C(=C\(CCCCCC)C(F)(F)F)Br)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91364 |
