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Ritalinic acid-D9 iso-2 HFB HFBOL     @
SpectraBase Compound ID LIDxNujPUAk
InChI InChI=1S/C21H17F14NO3/c22-16(23,18(26,27)20(30,31)32)10-39-14(37)13(11-6-2-1-3-7-11)12-8-4-5-9-36(12)15(38)17(24,25)19(28,29)21(33,34)35/h1-3,6-7,12-13H,4-5,8-10H2/i4D2,5D2,8D2,9D2,12D
InChIKey ORVOCIUOYOKYLZ-VRKVKMQMSA-N
Mol Weight 606.4 g/mol
Molecular Formula C21H8D9F14NO3
Exact Mass 606.154978 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C9rpGfsLcP
Name Ritalinic acid-D9 iso-2 HFB HFBOL @
Classification Stimulant
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Exact Mass 606.154978403 u
Formula C21H8D9F14NO3
InChI InChI=1S/C21H17F14NO3/c22-16(23,18(26,27)20(30,31)32)10-39-14(37)13(11-6-2-1-3-7-11)12-8-4-5-9-36(12)15(38)17(24,25)19(28,29)21(33,34)35/h1-3,6-7,12-13H,4-5,8-10H2/i4D2,5D2,8D2,9D2,12D
InChIKey ORVOCIUOYOKYLZ-VRKVKMQMSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 606.404 g/mol
SMILES C1(C(C(C(C(OCC(F)(F)C(F)(F)C(F)(F)F)=O)c2ccccc2)(N(C(C(F)(F)C(F)(F)C(F)(F)F)=O)C([D])(C1([D])[D])[D])[D])([D])[D])([D])[D]
SPLASH splash10-000i-2190000000-43ee6291b47b5f222521
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
Synonyms Ethylphenidate-M (ritalinic acid)-D9 isomer-2 HFB HFBOL Methylphenidate-M (ritalinic acid)-D9 isomer-2 HFB HFBOL Ritalinic acid-D9 isomer-2 HFB HFBOL
Technique GC/MS
Wiley ID MMPW6e_9351