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3-(4-Chlorophenyl)-5-(1-(2-(5-((3-fluoro-4-methylphenyl)diazenyl)-4-methylthiazol-2-yl)hydrazono)ethyl)-1,3,4-thiadiazol-2(3H)-imine
SpectraBase Compound ID 9Iji6vM9X35
InChI InChI=1S/C21H18ClFN8S2/c1-11-4-7-15(10-17(11)23)27-28-18-12(2)25-21(33-18)29-26-13(3)19-30-31(20(24)32-19)16-8-5-14(22)6-9-16/h4-10,24H,1-3H3,(H,25,29)
InChIKey NGVOKQXLPHVVQN-UHFFFAOYSA-N
Mol Weight 501.0 g/mol
Molecular Formula C21H18ClFN8S2
Exact Mass 500.076841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3EGO2wf2lF2
Name 3-(4-Chlorophenyl)-5-(1-(2-(5-((3-fluoro-4-methylphenyl)diazenyl)-4-methylthiazol-2-yl)hydrazono)ethyl)-1,3,4-thiadiazol-2(3H)-imine
Appearance Brown solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClFN8S2
InChI InChI=1S/C21H18ClFN8S2/c1-11-4-7-15(10-17(11)23)27-28-18-12(2)25-21(33-18)29-26-13(3)19-30-31(20(24)32-19)16-8-5-14(22)6-9-16/h4-10,24H,1-3H3,(H,25,29)
InChIKey NGVOKQXLPHVVQN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-Q1000-EX or HP 5988-A
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/jhet.4198
Molecular Weight 501.002 g/mol
SMILES N(N=C(C1=NN(C(S1)=N)c1ccc(Cl)cc1)C)c1sc(c(n1)C)N=Nc1cc(c(cc1)C)F
SPLASH splash10-009f-3049000000-7a152c151646885997ae
Source of Spectrum Y-58-SM16-13a
Wiley ID 1882753