| SpectraBase Spectrum ID |
DEpdvx748Kv |
| Name |
2H-Pyran-2,4-diol, 3-bromotetrahydro-6-phenyl-6-(trifluoromethyl)-, (2.alpha.,3.alpha.,4.beta.,6.beta.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.992191732 u |
| Formula |
C12H12BrF3O3 |
| InChI |
InChI=1S/C12H12BrF3O3/c13-9-8(17)6-11(12(14,15)16,19-10(9)18)7-4-2-1-3-5-7/h1-5,8-10,17-18H,6H2/t8-,9+,10-,11-/m0/s1 |
| InChIKey |
PPFUVBBKCRTMBD-VLEAKVRGSA-N |
| Molecular Weight |
341.124 g/mol |
| SMILES |
[C@@]1(O[C@](O)([C@@]([C@](C1)(O)[H])(Br)[H])[H])(C(F)(F)F)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854513 |
