| SpectraBase Spectrum ID |
JFCOGO5ZIAK |
| Name |
Methylphenidate TFA |
| CAS Registry Number |
27765-90-8 |
| Classification |
Amphetamine analog designer drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.123877930 u |
| Formula |
C16H18F3NO3 |
| InChI |
InChI=1S/C16H18F3NO3/c1-23-14(21)13(11-7-3-2-4-8-11)12-9-5-6-10-20(12)15(22)16(17,18)19/h2-4,7-8,12-13H,5-6,9-10H2,1H3 |
| InChIKey |
VWHAIRLERWBGPH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.319 g/mol |
| Nominal Mass |
329 u |
| Quality |
996 |
| Retention Index |
1867 |
| SMILES |
C(C1N(C(C(F)(F)F)=O)CCCC1)(C1=CC=CC=C1)C(OC)=O |
| SPLASH |
splash10-001i-2900000000-73a0538f1f3ff16fe3e1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-Trifluoroacetyl-methylphenidate
methyl phenyl(1-(trifluoroacetyl)piperidin-2-yl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030790 |
