SpectraBase Spectrum ID |
HOvfz95rEV7 |
Name |
1,2-Benzenediol, o-(3-fluorobenzoyl)-o'-(2,3,4-trifluorobenzoyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
390.051521450 u |
Formula |
C20H10F4O4 |
InChI |
InChI=1S/C20H10F4O4/c21-12-5-3-4-11(10-12)19(25)27-15-6-1-2-7-16(15)28-20(26)13-8-9-14(22)18(24)17(13)23/h1-10H |
InChIKey |
WXKQSHRTKJZBOD-UHFFFAOYSA-N |
Molecular Weight |
390.290 g/mol |
SMILES |
C1(=CC=CC=C1OC(=O)C1=CC(=CC=C1)F)OC(=O)C1=CC=C(C(=C1F)F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948359 |