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#7Q;5-METHYL-3-[PARA-(8'-(4-BROMOPHENYL)-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-OXADIAZO

View entire compound with spectra: 1 NMR

#7Q;5-METHYL-3-[PARA-(8'-(4-BROMOPHENYL)-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-OXADIAZO
SpectraBase Compound ID 8IMLJaqKm0L
InChI InChI=1S/C21H17BrN6O2S/c1-12-23-24-20-27(12)26-18(11-19(31-20)15-3-7-16(22)8-4-15)14-5-9-17(10-6-14)28-21(29)30-13(2)25-28/h3-10,19H,11H2,1-2H3
InChIKey QVXGXAAVIZEUDT-UHFFFAOYSA-N
Mol Weight 497.37 g/mol
Molecular Formula C21H17BrN6O2S
Exact Mass 496.031708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFtsGxIhTHU
Name #7Q;5-METHYL-3-[PARA-(8'-(4-BROMOPHENYL)-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-OXADIAZO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17BrN6O2S
InChI InChI=1S/C21H17BrN6O2S/c1-12-23-24-20-27(12)26-18(11-19(31-20)15-3-7-16(22)8-4-15)14-5-9-17(10-6-14)28-21(29)30-13(2)25-28/h3-10,19H,11H2,1-2H3
InChIKey QVXGXAAVIZEUDT-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 497.369 g/mol
Sample ID 67276
Solvent Unknown