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Milnacipran TFA
SpectraBase Compound ID FWgNc6s1spJ
InChI InChI=1S/C17H21F3N2O2/c1-3-22(4-2)15(24)16(12-8-6-5-7-9-12)10-13(16)11-21-14(23)17(18,19)20/h5-9,13H,3-4,10-11H2,1-2H3,(H,21,23)
InChIKey TVOPNPZOJIQTTQ-UHFFFAOYSA-N
Mol Weight 342.36 g/mol
Molecular Formula C17H21F3N2O2
Exact Mass 342.155512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlEUZcuSpkD
Name Milnacipran TFA
Classification Antidepressant
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Exact Mass 342.155512411 u
Formula C17H21N2O2F3
InChI InChI=1S/C17H21F3N2O2/c1-3-22(4-2)15(24)16(12-8-6-5-7-9-12)10-13(16)11-21-14(23)17(18,19)20/h5-9,13H,3-4,10-11H2,1-2H3,(H,21,23)
InChIKey TVOPNPZOJIQTTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 342.362 g/mol
Related CAS Registry Number(s) 92623-85-3
SMILES c1(ccccc1)C1(C(C1)CNC(=O)C(F)(F)F)C(=O)N(CC)CC
SPLASH splash10-0ufr-4910000000-79b6f2388860b02883d8
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_8225