| SpectraBase Spectrum ID |
JJMplMchSOu |
| Name |
1-Benzyl-3-methyl-4-piperidinylprolylester TFA II |
| Classification |
3-Methylfentanyl analog side product derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
398.181727159 u |
| Formula |
C20H25F3N2O3 |
| InChI |
InChI=1S/C20H25F3N2O3/c1-14-12-24(13-15-6-3-2-4-7-15)11-9-17(14)28-18(26)16-8-5-10-25(16)19(27)20(21,22)23/h2-4,6-7,14,16-17H,5,8-13H2,1H3/t14-,16-,17-/m0/s1 |
| InChIKey |
UGATWOYLKALOHN-XIRDDKMYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
398.426 g/mol |
| Nominal Mass |
398 u |
| Quality |
965 |
| Retention Index |
2494 |
| SMILES |
[C@]1(N(C(C(F)(F)F)=O)CCC1)(C(O[C@@]1([C@](CN(CC=2C=CC=CC2)CC1)(C)[H])[H])=O)[H] |
| SPLASH |
splash10-000l-5901000000-2776c9290990ee6e4578 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-benzyl-3-methylpiperidin-4-yl (2S)-1-(trifluoroacetyl)pyrrolidine-2-carboxylate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008884 |
