SpectraBase Spectrum ID |
6KtuyrcHGu |
Name |
1,3-Benzenediol, o-(2,6-difluorobenzoyl)-o'-propionyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
306.070365188 u |
Formula |
C16H12F2O4 |
InChI |
InChI=1S/C16H12F2O4/c1-2-14(19)21-10-5-3-6-11(9-10)22-16(20)15-12(17)7-4-8-13(15)18/h3-9H,2H2,1H3 |
InChIKey |
WDOIEVCUOVQCQJ-UHFFFAOYSA-N |
Molecular Weight |
306.265 g/mol |
SMILES |
C1=C(C=CC=C1OC(C1=C(C=CC=C1F)F)=O)OC(CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860252 |