| SpectraBase Spectrum ID |
FbC0WPbnMpO |
| Name |
4-Chloro-benzoic acid 1-(3,4-dihydro-isoquinolin-1-yl)-2,2,2-trifluoro-ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H13ClF3NO2 |
| InChI |
InChI=1S/C18H13ClF3NO2/c19-13-7-5-12(6-8-13)17(24)25-16(18(20,21)22)15-14-4-2-1-3-11(14)9-10-23-15/h1-8,16H,9-10H2 |
| InChIKey |
CPMFASGOTMCVHT-UHFFFAOYSA-N |
| Molecular Weight |
367.755 g/mol |
| SMILES |
C(C=1c2c(cccc2)CCN1)(C(F)(F)F)OC(c1ccc(cc1)Cl)=O |
| SPLASH |
splash10-03di-0095000000-917842e09a701fa19ad1 |
| Source of Spectrum |
H1-48-291-3 |
| Synonyms |
1-(3,4-dihydro-1-isoquinolinyl)-2,2,2-trifluoroethyl 4-chlorobenzoate
1-[2-(4-Chlorophenoxycarbonyl)-1,1,1-trifluoroethyl]-3,4-dihydroisoquinoline |
| Wiley ID |
816231 |
