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2-(2-Chloroeth-1-ylsulfanyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
SpectraBase Compound ID HKeRxBiGa0w
InChI InChI=1S/C12H10ClN3OS/c13-5-6-18-12-16-15-11(17-12)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,5-6H2
InChIKey XKJKJUWNSCEMEY-UHFFFAOYSA-N
Mol Weight 279.74 g/mol
Molecular Formula C12H10ClN3OS
Exact Mass 279.023311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2IjAJf4LyK
Name 2-(2-Chloroeth-1-ylsulfanyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
Appearance White solid
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Formula C12H10ClN3OS
InChI InChI=1S/C12H10ClN3OS/c13-5-6-18-12-16-15-11(17-12)10-7-8-3-1-2-4-9(8)14-10/h1-4,7,14H,5-6H2
InChIKey XKJKJUWNSCEMEY-UHFFFAOYSA-N
Instrument Name Finnigan MAT312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2545
Molecular Weight 279.745 g/mol
Reported Formula C12H10N3O1SCl
SMILES [nH]1c2c(cc1-c1oc(nn1)SCCCl)cccc2
SPLASH splash10-0006-5920000000-36b19ed781a596c6d36a
Source of Spectrum Y-54-SM14-6
Thin-Layer Chromatography Rf = 0.83 (EA/n-hexane, 6:4)
Wiley ID 1877749