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#7J;5-METHYL-3-[PARA-(8'-(4-METHOXYPHENYL)-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

#7J;5-METHYL-3-[PARA-(8'-(4-METHOXYPHENYL)-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 4ibFNUjqo1Y
InChI InChI=1S/C21H18N6O3S/c1-13-24-27(21(28)30-13)16-7-3-14(4-8-16)18-11-19(15-5-9-17(29-2)10-6-15)31-20-23-22-12-26(20)25-18/h3-10,12,19H,11H2,1-2H3
InChIKey YIHXQCNURKQIQO-UHFFFAOYSA-N
Mol Weight 434.47 g/mol
Molecular Formula C21H18N6O3S
Exact Mass 434.11611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9wpNow66h
Name #7J;5-METHYL-3-[PARA-(8'-(4-METHOXYPHENYL)-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 C21H18N6O3S
InChI InChI=1S/C21H18N6O3S/c1-13-24-27(21(28)30-13)16-7-3-14(4-8-16)18-11-19(15-5-9-17(29-2)10-6-15)31-20-23-22-12-26(20)25-18/h3-10,12,19H,11H2,1-2H3
InChIKey YIHXQCNURKQIQO-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 434.472 g/mol
Sample ID 67269
Solvent Unknown