| SpectraBase Spectrum ID |
6PNaiwuICDo |
| Name |
Methyl 4'-chloro-3-hydroxy-5-(trifluoromethyl)biphenyl-4-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.027056368 u |
| Formula |
C15H10ClF3O3 |
| InChI |
InChI=1S/C15H10ClF3O3/c1-22-14(21)13-11(15(17,18)19)6-9(7-12(13)20)8-2-4-10(16)5-3-8/h2-7,20H,1H3 |
| InChIKey |
PWZZYCWEVBXKPS-UHFFFAOYSA-N |
| Molecular Weight |
330.690 g/mol |
| SMILES |
C1(=C(C(O)=CC(=C1)C=1C=CC(=CC1)Cl)C(=O)OC)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918485 |
