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Ritalinic acid HFB HFBOL      @
SpectraBase Compound ID KOddsxVCFbT
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
InChIKey ORVOCIUOYOKYLZ-UHFFFAOYSA-N
Mol Weight 597.35 g/mol
Molecular Formula C21H17F14NO3
Exact Mass 597.098488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LmckGBlE4Yk
Name Ritalinic acid HFB HFBOL @
Classification Stimulant
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Exact Mass 597.098487690 u
Formula C21H17F14NO3
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
InChIKey ORVOCIUOYOKYLZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 597.349 g/mol
SMILES C1CC(N(CC1)C(C(F)(F)C(F)(F)C(F)(F)F)=O)C(C(OCC(C(F)(F)C(F)(F)F)(F)F)=O)c1ccccc1
SPLASH splash10-001i-2290000000-3503d83110d80a4dbb8d
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) HFB HFBOL Methylphenidate-M (ritalinic acid) HFB HFBOL
Technique GC/MS
Wiley ID MMPW6e_9347