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Sertraline-M/A (-NH2-4H)
SpectraBase Compound ID CHTu1oVSxit
InChI InChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKey XXZDWAQTCMYQNE-UHFFFAOYSA-N
Mol Weight 273.16 g/mol
Molecular Formula C16H10Cl2
Exact Mass 272.015956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 148hbjz2fxM
Name Sertraline-M/A (-NH2-4H)
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 272.015955722 u
Formula C16H10Cl2
InChI InChI=1S/C16H10Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H
InChIKey XXZDWAQTCMYQNE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 273.162 g/mol
Nominal Mass 272 u
Quality 897
Retention Index 1977
SMILES C=1(C=2C(C=CC1)=CC=CC2)C1=CC(=C(C=C1)Cl)Cl
SPLASH splash10-0udi-1490000000-13cef969b33931367a5c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3,4-dichlorophenyl)naphthalene
Technique GC/MS
Wiley ID DD2024_003886