| SpectraBase Spectrum ID |
5YFft3zJEef |
| Name |
(5R,1E)-5-Hydroxy-5-(2-bromophenyl)-1-phenyl-1-penten-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.025542721 u |
| Formula |
C17H15BrO2 |
| InChI |
InChI=1S/C17H15BrO2/c18-16-9-5-4-8-15(16)17(20)12-14(19)11-10-13-6-2-1-3-7-13/h1-11,17,20H,12H2/b11-10+/t17-/m1/s1 |
| InChIKey |
CFDXSXSSMCNNKK-SXSDINLZSA-N |
| Molecular Weight |
331.209 g/mol |
| SMILES |
C=1([C@@](CC(\C=C\C=2C=CC=CC2)=O)(O)[H])C(Br)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962348 |
