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2-(4-Bromo-phenyl)-5-[2-(toluene-4-sulfonyl)-ethyl]-[1,3,4]oxadiazole
SpectraBase Compound ID DJUpioW2FQg
InChI InChI=1S/C17H15BrN2O3S/c1-12-2-8-15(9-3-12)24(21,22)11-10-16-19-20-17(23-16)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3
InChIKey ODVALYYWJMUIJE-UHFFFAOYSA-N
Mol Weight 407.28 g/mol
Molecular Formula C17H15BrN2O3S
Exact Mass 405.998677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LU6WLAuEcPc
Name 2-(4-Bromo-phenyl)-5-[2-(toluene-4-sulfonyl)-ethyl]-[1,3,4]oxadiazole
Alternate Name(s) 2-(4-Bromophenyl)-5-{2-[(4-methylphenyl)sulfonyl]ethyl}-1,3,4-oxadiazole 2-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-methylphenyl sulfone
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Formula C17H15BrN2O3S
InChI InChI=1S/C17H15BrN2O3S/c1-12-2-8-15(9-3-12)24(21,22)11-10-16-19-20-17(23-16)13-4-6-14(18)7-5-13/h2-9H,10-11H2,1H3
InChIKey ODVALYYWJMUIJE-UHFFFAOYSA-N
Molecular Weight 407.282 g/mol
SMILES Cc1ccc(S(CCc2oc(-c3ccc(cc3)Br)nn2)(=O)=O)cc1
SPLASH splash10-0a4i-8901000000-dada03ae0c60a2d7244f
Wiley ID 1458838