| SpectraBase Spectrum ID |
902n7eqW36T |
| Name |
2-[3-(Trifluoromethyl)benzyl]benzoic acid |
| CAS Registry Number |
58821-80-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H11F3O2 |
| InChI |
InChI=1S/C15H11F3O2/c16-15(17,18)12-6-3-4-10(9-12)8-11-5-1-2-7-13(11)14(19)20/h1-7,9H,8H2,(H,19,20) |
| InChIKey |
DAULYBAWPYATIA-UHFFFAOYSA-N |
| Molecular Weight |
280.246 g/mol |
| SMILES |
OC(c1c(Cc2cc(C(F)(F)F)ccc2)cccc1)=O |
| SPLASH |
splash10-03di-0090000000-c1b0baf4b9b4ab4bf724 |
| Source of Spectrum |
J-44-1947-0 |
| Wiley ID |
1283716 |
![2-[3-(Trifluoromethyl)benzyl]benzoic acid](/api/spectrum/902n7eqW36T/structure.png?h=300&w=458 "2-[3-(Trifluoromethyl)benzyl]benzoic acid")
