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Sertraline-M (Nor) PROP
SpectraBase Compound ID I6QAQMq9a50
InChI InChI=1S/C19H19Cl2NO/c1-2-19(23)22-18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(20)17(21)11-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,22,23)/t13-,18-/m0/s1
InChIKey WRFUXSICKFDGKL-UGSOOPFHSA-N
Mol Weight 348.27 g/mol
Molecular Formula C19H19Cl2NO
Exact Mass 347.08437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HOd2XTkRM0
Name Sertraline-M (Nor) PROP
Classification Pharmaceutical drug metabolite derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 347.084369635 u
Formula C19H19Cl2NO
InChI InChI=1S/C19H19Cl2NO/c1-2-19(23)22-18-10-8-13(14-5-3-4-6-15(14)18)12-7-9-16(20)17(21)11-12/h3-7,9,11,13,18H,2,8,10H2,1H3,(H,22,23)/t13-,18-/m0/s1
InChIKey WRFUXSICKFDGKL-UGSOOPFHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 348.273 g/mol
Nominal Mass 347 u
Quality 881
Retention Index 2808
SMILES C1=2C([C@](C3=CC(=C(C=C3)Cl)Cl)(CC[C@@]1(NC(CC)=O)[H])[H])=CC=CC2
SPLASH splash10-0006-9651000000-093111718ff296e4c1ef
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-((1S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
Technique GC/MS
Wiley ID DD2024_011128