| SpectraBase Spectrum ID |
CdTg4hmY0JI |
| Name |
Tert-butyl 2-bromo-5-phenyl-3-(trifluoromethyl)pent-2-en-4-ynoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.012927178 u |
| Formula |
C16H14BrF3O2 |
| InChI |
InChI=1S/C16H14BrF3O2/c1-15(2,3)22-14(21)13(17)12(16(18,19)20)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3/b13-12+ |
| InChIKey |
UEOZULUOFUNBPW-OUKQBFOZSA-N |
| Molecular Weight |
375.185 g/mol |
| SMILES |
C(\C(=C\(C#CC=1C=CC=CC1)C(F)(F)F)Br)(=O)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932276 |
