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Pramipexole 2HFB
SpectraBase Compound ID 8G9fxQJF7hW
InChI InChI=1S/C18H15F14N3O2S/c1-2-5-35(11(37)14(21,22)16(25,26)18(30,31)32)7-3-4-8-9(6-7)38-12(33-8)34-10(36)13(19,20)15(23,24)17(27,28)29/h7H,2-6H2,1H3,(H,33,34,36)
InChIKey GYTZWQNZIUWKOG-UHFFFAOYSA-N
Mol Weight 603.37 g/mol
Molecular Formula C18H15F14N3O2S
Exact Mass 603.066142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RCexsOVVCr
Name Pramipexole 2HFB
Classification Antiparkinsonian
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Exact Mass 603.066142189 u
Formula C18H15N3O2SF14
InChI InChI=1S/C18H15F14N3O2S/c1-2-5-35(11(37)14(21,22)16(25,26)18(30,31)32)7-3-4-8-9(6-7)38-12(33-8)34-10(36)13(19,20)15(23,24)17(27,28)29/h7H,2-6H2,1H3,(H,33,34,36)
InChIKey GYTZWQNZIUWKOG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 603.375 g/mol
SMILES C1(N(CCC)C(C(F)(F)C(F)(F)C(F)(F)F)=O)CCc2c(sc(NC(C(F)(F)C(F)(F)C(F)(F)F)=O)n2)C1
SPLASH splash10-0002-2529000000-ec4c588336244f420a2a
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_7499