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Sertraline-M (nor-) HFB
SpectraBase Compound ID IPhAWD63icg
InChI InChI=1S/C20H14Cl2F7NO/c21-14-7-3-6-13(16(14)22)11-8-9-15(12-5-2-1-4-10(11)12)30-17(31)18(23,24)19(25,26)20(27,28)29/h1-7,11,15H,8-9H2,(H,30,31)
InChIKey UBMHEYKNCHPBMY-UHFFFAOYSA-N
Mol Weight 488.23 g/mol
Molecular Formula C20H14Cl2F7NO
Exact Mass 487.034067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aWmyohqcEy
Name Sertraline-M (nor-) HFB
Classification Antidepressant
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Exact Mass 487.034066615 u
Formula C20H14Cl2NOF7
InChI InChI=1S/C20H14Cl2F7NO/c21-14-7-3-6-13(16(14)22)11-8-9-15(12-5-2-1-4-10(11)12)30-17(31)18(23,24)19(25,26)20(27,28)29/h1-7,11,15H,8-9H2,(H,30,31)
InChIKey UBMHEYKNCHPBMY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 488.233 g/mol
SMILES C1(c2ccccc2C(CC1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1cccc(c1Cl)Cl
SPLASH splash10-00b9-2970000000-c2d535cfa02ef70c6d83
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_7194