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5-METHYL-3-[PARA-(8'-PHENYL-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

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5-METHYL-3-[PARA-(8'-PHENYL-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 FkREqxlIomv
InChI InChI=1S/C20H16N6O2S/c1-13-23-26(20(27)28-13)16-9-7-14(8-10-16)17-11-18(15-5-3-2-4-6-15)29-19-22-21-12-25(19)24-17/h2-10,12,18H,11H2,1H3
InChIKey FRQMJNFDPUEYRQ-UHFFFAOYSA-N
Mol Weight 404.45 g/mol
Molecular Formula C20H16N6O2S
Exact Mass 404.105545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HeeTQtvNdu7
Name 5-METHYL-3-[PARA-(8'-PHENYL-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
Compound Number 7H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16N6O2S
InChI InChI=1S/C20H16N6O2S/c1-13-23-26(20(27)28-13)16-9-7-14(8-10-16)17-11-18(15-5-3-2-4-6-15)29-19-22-21-12-25(19)24-17/h2-10,12,18H,11H2,1H3
InChIKey FRQMJNFDPUEYRQ-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 404.446 g/mol
Sample ID 67267
Solvent Unknown