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#7I;5-METHYL-3-[PARA-(8'-(4-METHYLPHENYL)-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, and 1 MS (GC)

#7I;5-METHYL-3-[PARA-(8'-(4-METHYLPHENYL)-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 Ch6HXGyotwk
InChI InChI=1S/C21H18N6O2S/c1-13-3-5-16(6-4-13)19-11-18(25-26-12-22-23-20(26)30-19)15-7-9-17(10-8-15)27-21(28)29-14(2)24-27/h3-10,12,19H,11H2,1-2H3
InChIKey YKCHLBICTFMZON-UHFFFAOYSA-N
Mol Weight 418.48 g/mol
Molecular Formula C21H18N6O2S
Exact Mass 418.121195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mvO1Lak4Kf
Name #7I;5-METHYL-3-[PARA-(8'-(4-METHYLPHENYL)-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 C21H18N6O2S
InChI InChI=1S/C21H18N6O2S/c1-13-3-5-16(6-4-13)19-11-18(25-26-12-22-23-20(26)30-19)15-7-9-17(10-8-15)27-21(28)29-14(2)24-27/h3-10,12,19H,11H2,1-2H3
InChIKey YKCHLBICTFMZON-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 418.473 g/mol
Sample ID 67268
Solvent Unknown