| SpectraBase Spectrum ID |
CAJJ5i4wvDn |
| Name |
Methylphenidate-D9 isomer-1 HFB |
| Classification |
Stimulant |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
438.173981295 u |
| Formula |
C18H9D9NO3F7 |
| InChI |
InChI=1S/C18H18F7NO3/c1-29-14(27)13(11-7-3-2-4-8-11)12-9-5-6-10-26(12)15(28)16(19,20)17(21,22)18(23,24)25/h2-4,7-8,12-13H,5-6,9-10H2,1H3/i5D2,6D2,9D2,10D2,12D |
| InChIKey |
NQHXWCGXZSOVAE-DNIAVSQBSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
438.390 g/mol |
| SMILES |
C1(C([D])(C([D])(N(C(C1([D])[D])([D])C(C(OC)=O)c1ccccc1)C(=O)C(C(F)(F)C(F)(F)F)(F)F)[D])[D])([D])[D] |
| SPLASH |
splash10-000i-3290000000-3ca06b9c18b211cd79b2 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_9338 |
