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Isopropylphenidate PFP
SpectraBase Compound ID 64VlvYpxkT3
InChI InChI=1S/C19H22F5NO3/c1-12(2)28-16(26)15(13-8-4-3-5-9-13)14-10-6-7-11-25(14)17(27)18(20,21)19(22,23)24/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKey UZBUBVMJWLAODK-UHFFFAOYSA-N
Mol Weight 407.38 g/mol
Molecular Formula C19H22F5NO3
Exact Mass 407.151984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2GOKGWB89A
Name Isopropylphenidate PFP
Classification Stimulant
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Exact Mass 407.151984384 u
Formula C19H22NO3F5
InChI InChI=1S/C19H22F5NO3/c1-12(2)28-16(26)15(13-8-4-3-5-9-13)14-10-6-7-11-25(14)17(27)18(20,21)19(22,23)24/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKey UZBUBVMJWLAODK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 407.381 g/mol
SMILES c1cc(C(C2CCCCN2C(=O)C(F)(F)C(F)(F)F)C(=O)OC(C)C)ccc1
SPLASH splash10-001i-3390000000-43f117171aaeb4a5a9ea
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_10508