| SpectraBase Spectrum ID |
LEVJOu1DCMR |
| Name |
2H-Indol-2-one, 5-bromo-3-(4-fluorophenyl)-1,3-dihydro-3-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.980069695 u |
| Formula |
C14H9BrFNO2 |
| InChI |
InChI=1S/C14H9BrFNO2/c15-9-3-6-12-11(7-9)14(19,13(18)17-12)8-1-4-10(16)5-2-8/h1-7,19H,(H,17,18) |
| InChIKey |
XMUUKICISYQMLI-UHFFFAOYSA-N |
| Molecular Weight |
322.133 g/mol |
| SMILES |
C1=2C=CC(=CC2C(C(N1)=O)(O)C=1C=CC(=CC1)F)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870264 |
