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Bis(5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-ylsulfanyl)-1,3-propane
SpectraBase Compound ID Cn1Gb9To7ON
InChI InChI=1S/C23H18N6O2S2/c1-3-8-16-14(6-1)12-18(24-16)20-26-28-22(30-20)32-10-5-11-33-23-29-27-21(31-23)19-13-15-7-2-4-9-17(15)25-19/h1-4,6-9,12-13,24-25H,5,10-11H2
InChIKey YSCLHOPMXUKBOG-UHFFFAOYSA-N
Mol Weight 474.56 g/mol
Molecular Formula C23H18N6O2S2
Exact Mass 474.093266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDmpkXCqsDm
Name Bis(5-(1H-indol-2-yl)-1,3,4-oxadiazol-2-ylsulfanyl)-1,3-propane
Appearance White crystals
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Formula C23H18N6O2S2
InChI InChI=1S/C23H18N6O2S2/c1-3-8-16-14(6-1)12-18(24-16)20-26-28-22(30-20)32-10-5-11-33-23-29-27-21(31-23)19-13-15-7-2-4-9-17(15)25-19/h1-4,6-9,12-13,24-25H,5,10-11H2
InChIKey YSCLHOPMXUKBOG-UHFFFAOYSA-N
Instrument Name Finnigan MAT312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2545
Molecular Weight 474.557 g/mol
Reported Formula C23H18N6O2S2
SMILES [nH]1c2c(cc1-c1nnc(SCCCSc3oc(-c4cc5ccccc5[nH]4)nn3)o1)cccc2
SPLASH splash10-0006-2900000000-ac4c9c0c5800dbcf0bac
Source of Spectrum Y-54-SM12-5
Wiley ID 1877748