SpectraBase Spectrum ID |
Ukdd8o0jDv |
Name |
(3-Bromophenyl)(3-fluorophenyl)methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.974256040 u |
Formula |
C13H8BrFO |
InChI |
InChI=1S/C13H8BrFO/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H |
InChIKey |
KGAQUGKHKYDPDW-UHFFFAOYSA-N |
Molecular Weight |
279.108 g/mol |
SMILES |
C1(F)=CC(=CC=C1)C(=O)C1=CC(=CC=C1)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844372 |