| SpectraBase Spectrum ID |
9wHPDkN4WgV |
| Name |
3-Hydroxy-2-methyl-5,4'-bis(trifluoromethyl)-biphenyl-4-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.069063221 u |
| Formula |
C17H12F6O3 |
| InChI |
InChI=1S/C17H12F6O3/c1-8-11(9-3-5-10(6-4-9)16(18,19)20)7-12(17(21,22)23)13(14(8)24)15(25)26-2/h3-7,24H,1-2H3 |
| InChIKey |
MTDMCXYULGKYSH-UHFFFAOYSA-N |
| Molecular Weight |
378.270 g/mol |
| SMILES |
C1(=C(C(F)(F)F)C=C(C(=C1O)C)C1=CC=C(C(F)(F)F)C=C1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915038 |
