| SpectraBase Spectrum ID |
F8pkHbFx7Ci |
| Name |
Methyl 4-(3-cyano-1,1,1-trifluoropropan-2-yl)benzoate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H10F3NO2 |
| InChI |
InChI=1S/C12H10F3NO2/c1-18-11(17)9-4-2-8(3-5-9)10(6-7-16)12(13,14)15/h2-5,10H,6H2,1H3 |
| InChIKey |
KIMGMLIZGJPMCN-UHFFFAOYSA-N |
| Instrument Name |
HRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.orglett.1c01988 |
| Molecular Weight |
257.212 g/mol |
| Reported Formula |
C12H10F3NO2 |
| SMILES |
c1cc(ccc1C(=O)OC)C(C(F)(F)F)CC#N |
| SPLASH |
splash10-004i-0290000000-24a94cf51f9e174b93f4 |
| Source of Spectrum |
A1-23-SM39-2h |
| Wiley ID |
1870236 |
