| SpectraBase Spectrum ID |
4drHg20ePWZ |
| Name |
2,2-Dimethyl-propionic acid 1-(3,4-dihydro-isoquinolin-1-yl)-2,2,2-trifluoro-ethyl ester |
| Alternate Name(s) |
1-(3,4-dihydro-1-isoquinolinyl)-2,2,2-trifluoroethyl pivalate
1-[2-(tert-Butoxycarbonyl)-1,1,1-trifluoroethyl]-3,4-dihydroisoquinoline |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H18F3NO2 |
| InChI |
InChI=1S/C16H18F3NO2/c1-15(2,3)14(21)22-13(16(17,18)19)12-11-7-5-4-6-10(11)8-9-20-12/h4-7,13H,8-9H2,1-3H3 |
| InChIKey |
SWZNFEXHDMRMPZ-UHFFFAOYSA-N |
| Molecular Weight |
313.320 g/mol |
| SMILES |
C(C=1c2c(cccc2)CCN1)(C(F)(F)F)OC(C(C)(C)C)=O |
| SPLASH |
splash10-004i-0090000000-3dcc80c6392807cbdeab |
| Source of Spectrum |
H1-48-291-3 |
| Wiley ID |
816233 |
