| SpectraBase Spectrum ID |
8JCayNLgeLg |
| Name |
Methylphenidate PFO |
| Classification |
Amphetamine analog designer drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
629.104715886 u |
| Formula |
C22H18F15NO3 |
| InChI |
InChI=1S/C22H18F15NO3/c1-41-14(39)13(11-7-3-2-4-8-11)12-9-5-6-10-38(12)15(40)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)21(33,34)22(35,36)37/h2-4,7-8,12-13H,5-6,9-10H2,1H3 |
| InChIKey |
VATRRUFQPJELAV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
629.366 g/mol |
| Nominal Mass |
629 u |
| Quality |
963 |
| Retention Index |
4454 |
| SMILES |
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(N1C(C(C=2C=CC=CC2)C(OC)=O)CCCC1)=O)(F)F)(F)F)(F)F |
| SPLASH |
splash10-001i-1100900000-9e73aa333d3894a66c27 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl (2S)-(1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoyl)piperidin-2-yl)(phenyl)ethanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002315 |
