SpectraBase Spectrum ID |
DPtjRWFoGr1 |
Name |
4-Fluoro-2-methoxyphenol, chlorodifluoroacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.995756239 u |
Formula |
C9H6ClF3O3 |
InChI |
InChI=1S/C9H6ClF3O3/c1-15-7-4-5(11)2-3-6(7)16-8(14)9(10,12)13/h2-4H,1H3 |
InChIKey |
LAZVNLYIVUWEOW-UHFFFAOYSA-N |
Molecular Weight |
254.592 g/mol |
SMILES |
C1(=CC(=CC=C1OC(C(F)(F)Cl)=O)F)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861938 |