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2-(3-Bromoprop-1-ylsulfanyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
SpectraBase Compound ID 4ajIsVajMYj
InChI InChI=1S/C13H12BrN3OS/c14-6-3-7-19-13-17-16-12(18-13)11-8-9-4-1-2-5-10(9)15-11/h1-2,4-5,8,15H,3,6-7H2
InChIKey JTTXWQIZVDXYKY-UHFFFAOYSA-N
Mol Weight 338.22 g/mol
Molecular Formula C13H12BrN3OS
Exact Mass 336.988446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gItZA4QJMc
Name 2-(3-Bromoprop-1-ylsulfanyl)-5-(1H-indol-2-yl)-1,3,4-oxadiazole
Appearance Colorless crystals
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Formula C13H12BrN3OS
InChI InChI=1S/C13H12BrN3OS/c14-6-3-7-19-13-17-16-12(18-13)11-8-9-4-1-2-5-10(9)15-11/h1-2,4-5,8,15H,3,6-7H2
InChIKey JTTXWQIZVDXYKY-UHFFFAOYSA-N
Instrument Name Finnigan MAT312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2545
Molecular Weight 338.223 g/mol
Reported Formula C13H12N3OSBr
SMILES [nH]1c2c(cc1-c1oc(nn1)SCCCBr)cccc2
SPLASH splash10-0006-6900000000-e7b62efb53c767096ec8
Source of Spectrum Y-54-SM5-2
Thin-Layer Chromatography Rf = 0.49 (EtOAc/n-hexane, 3:7)
Wiley ID 1877746