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#7N;5-METHYL-3-[PARA-(8'-(4-METHYLPHENYL)-3'-METHYL-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-OXADIAZ

View entire compound with spectra: 1 NMR

#7N;5-METHYL-3-[PARA-(8'-(4-METHYLPHENYL)-3'-METHYL-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-OXADIAZ
SpectraBase Compound ID DJXr9a7CPXu
InChI InChI=1S/C22H20N6O2S/c1-13-4-6-17(7-5-13)20-12-19(26-27-14(2)23-24-21(27)31-20)16-8-10-18(11-9-16)28-22(29)30-15(3)25-28/h4-11,20H,12H2,1-3H3
InChIKey ZBDINXSORIQQKM-UHFFFAOYSA-N
Mol Weight 432.5 g/mol
Molecular Formula C22H20N6O2S
Exact Mass 432.136845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DZhpK3h5DZe
Name #7N;5-METHYL-3-[PARA-(8'-(4-METHYLPHENYL)-3'-METHYL-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-OXADIAZ
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20N6O2S
InChI InChI=1S/C22H20N6O2S/c1-13-4-6-17(7-5-13)20-12-19(26-27-14(2)23-24-21(27)31-20)16-8-10-18(11-9-16)28-22(29)30-15(3)25-28/h4-11,20H,12H2,1-3H3
InChIKey ZBDINXSORIQQKM-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 432.500 g/mol
Sample ID 67273
Solvent Unknown