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Sertraline
SpectraBase Compound ID KoH5cGqo3wn
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
Mol Weight 306.24 g/mol
Molecular Formula C17H17Cl2N
Exact Mass 305.073805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsjKhEda72m
Name Sertraline
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C17H17Cl2N
InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1
InChIKey VGKDLMBJGBXTGI-SJCJKPOMSA-N
SMILES N([C@]1(CC[C@](c2ccccc12)(c1ccc(c(c1)Cl)Cl)[H])[H])C
SPLASH splash10-00b9-1690000000-96cb1909570d41119379
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences