| SpectraBase Spectrum ID |
6crjVh62Z0m |
| Name |
Methyl 4'-(trifluoromethyl)-4-[4'-(trifluoromethyl)biphenylcarbonyl]biphenyl-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
528.116013415 u |
| Formula |
C29H18F6O3 |
| InChI |
InChI=1S/C29H18F6O3/c1-38-27(37)25-16-19(10-15-23(25)18-8-13-21(14-9-18)29(33,34)35)26(36)24-5-3-2-4-22(24)17-6-11-20(12-7-17)28(30,31)32/h2-16H,1H3 |
| InChIKey |
GXGIVJYJONIIMH-UHFFFAOYSA-N |
| Molecular Weight |
528.450 g/mol |
| SMILES |
C=1(C(=CC=C(C(C=2C(C=3C=CC(C(F)(F)F)=CC3)=CC=CC2)=O)C1)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84087 |
![Methyl 4'-(trifluoromethyl)-4-[4'-(trifluoromethyl)biphenylcarbonyl]biphenyl-2-carboxylate](/api/spectrum/6crjVh62Z0m/structure.png?h=300&w=458 "Methyl 4'-(trifluoromethyl)-4-[4'-(trifluoromethyl)biphenylcarbonyl]biphenyl-2-carboxylate")
