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3-(3-bromopropyl)-5-[1-(3-bromopropyl)indol-2-yl]-1,3,4-oxadiazole-2-thione
SpectraBase Compound ID 70Doi3UYHi0
InChI InChI=1S/C16H17Br2N3OS/c17-7-3-9-20-13-6-2-1-5-12(13)11-14(20)15-19-21(10-4-8-18)16(23)22-15/h1-2,5-6,11H,3-4,7-10H2
InChIKey QPOOBMIRAULJDC-UHFFFAOYSA-N
Mol Weight 459.2 g/mol
Molecular Formula C16H17Br2N3OS
Exact Mass 456.945909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GT6UTCsViw4
Name 3-(3-bromopropyl)-5-[1-(3-bromopropyl)indol-2-yl]-1,3,4-oxadiazole-2-thione
Appearance Colorless prisms
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Formula C16H17Br2N3OS
InChI InChI=1S/C16H17Br2N3OS/c17-7-3-9-20-13-6-2-1-5-12(13)11-14(20)15-19-21(10-4-8-18)16(23)22-15/h1-2,5-6,11H,3-4,7-10H2
InChIKey QPOOBMIRAULJDC-UHFFFAOYSA-N
Instrument Name Jeol JMS.600H
Ionization Type EI positive ion
Literature Reference DOI 10.1002/jhet.2545
Molecular Weight 459.200 g/mol
Reported Formula C16H17N3OSBr2
SMILES C1(=S)OC(=NN1CCCBr)c1[n](c2c(c1)cccc2)CCCBr
SPLASH splash10-0a7i-0309500000-7edee51b21cd590a7ab4
Source of Spectrum Y-54-100-4
Thin-Layer Chromatography Rf = 0.46 (EA/n-hexane, 15:85)
Wiley ID 1877743