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Milnacipran PFP
SpectraBase Compound ID EvOpExPwwCB
InChI InChI=1S/C18H21F5N2O2/c1-3-25(4-2)15(27)16(12-8-6-5-7-9-12)10-13(16)11-24-14(26)17(19,20)18(21,22)23/h5-9,13H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKey SGDDDGPCHNYOKP-UHFFFAOYSA-N
Mol Weight 392.37 g/mol
Molecular Formula C18H21F5N2O2
Exact Mass 392.152319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D0YfpdMFBh
Name Milnacipran PFP
Classification Antidepressant
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Exact Mass 392.152318737 u
Formula C18H21N2O2F5
InChI InChI=1S/C18H21F5N2O2/c1-3-25(4-2)15(27)16(12-8-6-5-7-9-12)10-13(16)11-24-14(26)17(19,20)18(21,22)23/h5-9,13H,3-4,10-11H2,1-2H3,(H,24,26)
InChIKey SGDDDGPCHNYOKP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 392.370 g/mol
Related CAS Registry Number(s) 92623-85-3
SMILES c1(ccccc1)C1(C(C1)CNC(=O)C(F)(F)C(F)(F)F)C(=O)N(CC)CC
SPLASH splash10-0ufr-3910000000-5e28d406c43abf495a52
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_8226