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Niclosamide
SpectraBase Compound ID JuwWBuqjfoM
InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
InChIKey RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Mol Weight 327.12 g/mol
Molecular Formula C13H8Cl2N2O4
Exact Mass 325.986112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwOaCgsjI39
Name Niclosamide
Source of Sample Sigma-Aldrich Cat. #N3510
CAS Registry Number 50-65-7
Classification Pesticides: Molluscicides
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 325.986112142 u
Formula C13H8Cl2N2O4
InChI InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)
InChIKey RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Molecular Weight 327.123 g/mol
Number of Peaks 46
RI1 2744
SMILES N(C(c1c(ccc(c1)Cl)O)=O)c1ccc(N(=O)=O)cc1Cl
SPLASH splash10-0a4i-2900000000-54787865fbc8c50c5e00
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzamide, 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-
Wiley ID LM_PEST_440