SpectraBase Spectrum ID |
Xitj7OBJIJ |
Name |
2-(4-Chlorophenyl)-1-(3-fluorophenyl)ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
248.040420804 u |
Formula |
C14H10ClFO |
InChI |
InChI=1S/C14H10ClFO/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9H,8H2 |
InChIKey |
NFEVNNXCPNMBNP-UHFFFAOYSA-N |
Molecular Weight |
248.684 g/mol |
SMILES |
C(CC1=CC=C(C=C1)Cl)(=O)C1=CC(=CC=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927443 |