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Pramipexole 2TFA
SpectraBase Compound ID AbKCCKzE2jn
InChI InChI=1S/C14H15F6N3O2S/c1-2-5-23(11(25)14(18,19)20)7-3-4-8-9(6-7)26-12(21-8)22-10(24)13(15,16)17/h7H,2-6H2,1H3,(H,21,22,24)
InChIKey TXBWQQPYUSBKGG-UHFFFAOYSA-N
Mol Weight 403.34 g/mol
Molecular Formula C14H15F6N3O2S
Exact Mass 403.078917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WgEEjRxjtD
Name Pramipexole 2TFA
Classification Antiparkinsonian
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Exact Mass 403.078916885 u
Formula C14H15N3O2SF6
InChI InChI=1S/C14H15F6N3O2S/c1-2-5-23(11(25)14(18,19)20)7-3-4-8-9(6-7)26-12(21-8)22-10(24)13(15,16)17/h7H,2-6H2,1H3,(H,21,22,24)
InChIKey TXBWQQPYUSBKGG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 403.343 g/mol
SMILES C1(CCc2nc(sc2C1)NC(C(F)(F)F)=O)N(C(C(F)(F)F)=O)CCC
SPLASH splash10-014i-9310000000-0db8460e312168e4e35b
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_7497