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#7L;5-METHYL-3-[PARA-(8'-(4-BROMOPHENYL)-7',8'-DIHYDRO-S-[1,2,4]-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZEPINE-6'-YL)-PHENYL]-3H-2-OXO-DELTA(4)-1,3,4-OXADIAZOLE

View entire compound with spectra: 1 NMR

#7L;5-METHYL-3-[PARA-(8'-(4-BROMOPHENYL)-7',8'-DIHYDRO-S-[1,2,4]-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZEPINE-6'-YL)-PHENYL]-3H-2-OXO-DELTA(4)-1,3,4-OXADIAZOLE
SpectraBase Compound ID 9tA3GhUpfpb
InChI InChI=1S/C20H15BrN6O2S/c1-12-24-27(20(28)29-12)16-8-4-13(5-9-16)17-10-18(14-2-6-15(21)7-3-14)30-19-23-22-11-26(19)25-17/h2-9,11,18H,10H2,1H3
InChIKey BUNBGWPYVZYJKM-UHFFFAOYSA-N
Mol Weight 483.34 g/mol
Molecular Formula C20H15BrN6O2S
Exact Mass 482.016058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KHAVOeESvtd
Name #7L;5-METHYL-3-[PARA-(8'-(4-BROMOPHENYL)-7',8'-DIHYDRO-S-[1,2,4]-TRIAZOLO-[3,4-B]-1,3,4-THIADIAZEPINE-6'-YL)-PHENYL]-3H-2-OXO-DELTA(4)-1,3,4-OXADIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H15BrN6O2S
InChI InChI=1S/C20H15BrN6O2S/c1-12-24-27(20(28)29-12)16-8-4-13(5-9-16)17-10-18(14-2-6-15(21)7-3-14)30-19-23-22-11-26(19)25-17/h2-9,11,18H,10H2,1H3
InChIKey BUNBGWPYVZYJKM-UHFFFAOYSA-N
Literature Reference Author R.R.KAMBLE,B.S.SUDHA
Literature Reference Citation J.HETCYCL.CHEM.,43,345(2006)
Literature Reference DOI 10.1002/jhet.5570430214
Molecular Weight 483.342 g/mol
Sample ID 67271
Solvent Unknown