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Sertraline-M (-NHCH3,-4H)
SpectraBase Compound ID 1pVtCK8R6Ne
InChI InChI=1S/C16H12Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-6,8-10,14H,7H2/t14-/m0/s1
InChIKey ZLSPQUYRIXMVNQ-AWEZNQCLSA-N
Mol Weight 275.18 g/mol
Molecular Formula C16H12Cl2
Exact Mass 274.031606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IuXauIF57I
Name Sertraline-M (-NHCH3,-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 274.031605786 u
Formula C16H12Cl2
InChI InChI=1S/C16H12Cl2/c17-15-9-8-12(10-16(15)18)14-7-3-5-11-4-1-2-6-13(11)14/h1-6,8-10,14H,7H2/t14-/m0/s1
InChIKey ZLSPQUYRIXMVNQ-AWEZNQCLSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 275.178 g/mol
Nominal Mass 274 u
Quality 973
Retention Index 1984
SMILES [C@]1(C=2C(C=CC1)=CC=CC2)(C1=CC(=C(C=C1)Cl)Cl)[H]
SPLASH splash10-0umi-3890000000-c6ddc816d1e6ef3007b1
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1S)-1-(3,4-dichlorophenyl)-1,2-dihydronaphthalene
Technique GC/MS
Wiley ID DD2024_033241