| SpectraBase Spectrum ID |
5ZI02oaDC2y |
| Name |
Amantadine TFA |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
247.118398627 u |
| Formula |
C12H16F3NO |
| InChI |
InChI=1S/C12H16F3NO/c13-12(14,15)10(17)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,16,17)/t7-,8+,9-,11- |
| InChIKey |
CMKIOJNRXWXMCG-KJZNFTALSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.261 g/mol |
| Nominal Mass |
247 u |
| Quality |
974 |
| Retention Index |
1492 |
| SMILES |
C12(NC(C(F)(F)F)=O)C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H] |
| SPLASH |
splash10-0006-8940000000-9a59333f40cfaa4f9e51 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
trifluoro-N-(tricyclo[3.3.1.1^(3,7)]dec-1-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004746 |
