SpectraBase Spectrum ID |
6bqsTEu3jl9 |
Name |
2-(Benzyloxy)-1-chloro-3-fluorobenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
236.040420804 u |
Formula |
C13H10ClFO |
InChI |
InChI=1S/C13H10ClFO/c14-11-7-4-8-12(15)13(11)16-9-10-5-2-1-3-6-10/h1-8H,9H2 |
InChIKey |
AEGRIUGGOYNHLJ-UHFFFAOYSA-N |
Molecular Weight |
236.673 g/mol |
SMILES |
C(OC1=C(Cl)C=CC=C1F)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951254 |