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Bis(5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-ylsulfanyl)methane
SpectraBase Compound ID IBwvJ6eNFds
InChI InChI=1S/C21H14N6O2S2/c1-3-7-14-12(5-1)9-16(22-14)18-24-26-20(28-18)30-11-31-21-27-25-19(29-21)17-10-13-6-2-4-8-15(13)23-17/h1-10,22-23H,11H2
InChIKey KHOSIHBBFQFAKO-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C21H14N6O2S2
Exact Mass 446.061966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pvWkycYzsF
Name Bis(5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-ylsulfanyl)methane
Appearance White solid
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Formula C21H14N6O2S2
InChI InChI=1S/C21H14N6O2S2/c1-3-7-14-12(5-1)9-16(22-14)18-24-26-20(28-18)30-11-31-21-27-25-19(29-21)17-10-13-6-2-4-8-15(13)23-17/h1-10,22-23H,11H2
InChIKey KHOSIHBBFQFAKO-UHFFFAOYSA-N
Instrument Name Finnigan MAT312 or Jeol JMS.600H
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2545
Molecular Weight 446.503 g/mol
Reported Formula C21H14N6O2S2
SMILES [nH]1c(-c2nnc(SCSc3nnc(-c4cc5ccccc5[nH]4)o3)o2)cc2c1cccc2
SPLASH splash10-0006-1900200000-7b30318752f6c4deb55c
Source of Spectrum Y-54-100-7
Wiley ID 1877744