| SpectraBase Spectrum ID |
8JSzTh1sE08 |
| Name |
Nortilidine TFA |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
355.139527994 u |
| Formula |
C18H20F3NO3 |
| InChI |
InChI=1S/C18H20F3NO3/c1-3-25-16(24)17(13-9-5-4-6-10-13)12-8-7-11-14(17)22(2)15(23)18(19,20)21/h4-7,9-11,14H,3,8,12H2,1-2H3/t14-,17+/m0/s1 |
| InChIKey |
CSMZJNZEQUFSPW-WMLDXEAASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
355.357 g/mol |
| Nominal Mass |
355 u |
| Quality |
959 |
| Retention Index |
2622 |
| SMILES |
[C@]1([C@@](N(C(C(F)(F)F)=O)C)(C=CCC1)[H])(C1=CC=CC=C1)C(OCC)=O |
| SPLASH |
splash10-004i-2900000000-a5bebe22dc46a672ff0e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl-(1R,6S)-6-(methyl(trifluoroacetyl)amino)[3,6-dihydro-1,1'-biphenyl]-1(2H)-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032652 |
