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Isopropylphenidate TFA
SpectraBase Compound ID 5W80ATseAjf
InChI InChI=1S/C18H22F3NO3/c1-12(2)25-16(23)15(13-8-4-3-5-9-13)14-10-6-7-11-22(14)17(24)18(19,20)21/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKey XWEFNQIMFBNSQA-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C18H22F3NO3
Exact Mass 357.155178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pFruWyitU
Name Isopropylphenidate TFA
Classification Stimulant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 357.155178058 u
Formula C18H22NO3F3
InChI InChI=1S/C18H22F3NO3/c1-12(2)25-16(23)15(13-8-4-3-5-9-13)14-10-6-7-11-22(14)17(24)18(19,20)21/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3
InChIKey XWEFNQIMFBNSQA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 357.373 g/mol
SMILES c1cc(C(C2N(CCCC2)C(=O)C(F)(F)F)C(=O)OC(C)C)ccc1
SPLASH splash10-001i-2900000000-f0511e51d16164061bc7
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_10507