| SpectraBase Spectrum ID |
5aMiCDiXrYZ |
| Name |
5-Bromo-3-(4-chlorophenyl)-2-hydroxy-2,3-dihydro-1H-inden-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.955270260 u |
| Formula |
C15H10BrClO2 |
| InChI |
InChI=1S/C15H10BrClO2/c16-9-3-6-11-12(7-9)13(15(19)14(11)18)8-1-4-10(17)5-2-8/h1-7,13,15,19H |
| InChIKey |
FJELDEMJKDFCBV-UHFFFAOYSA-N |
| Molecular Weight |
337.600 g/mol |
| SMILES |
C12=C(C(=O)C(C2C=2C=CC(=CC2)Cl)O)C=CC(=C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849563 |
