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Isopropylphenidate HFB
SpectraBase Compound ID 443WHFD7khr
InChI InChI=1S/C20H22F7NO3/c1-12(2)31-16(29)15(13-8-4-3-5-9-13)14-10-6-7-11-28(14)17(30)18(21,22)19(23,24)20(25,26)27/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKey LLZGAPGCVGLIOO-UHFFFAOYSA-N
Mol Weight 457.39 g/mol
Molecular Formula C20H22F7NO3
Exact Mass 457.148791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hf9DQcNZfSe
Name Isopropylphenidate HFB
Classification Stimulant
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Exact Mass 457.148790710 u
Formula C20H22NO3F7
InChI InChI=1S/C20H22F7NO3/c1-12(2)31-16(29)15(13-8-4-3-5-9-13)14-10-6-7-11-28(14)17(30)18(21,22)19(23,24)20(25,26)27/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKey LLZGAPGCVGLIOO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 457.389 g/mol
SMILES c1cc(ccc1)C(C1CCCCN1C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(C)C
SPLASH splash10-001i-3690000000-ea91ca91adf078ba39c5
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_10509