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#7M;5-METHYL-3-[PARA-(8'-PHENYL-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-OXADIAZOLE

View entire compound with spectra: 1 NMR

#7M;5-METHYL-3-[PARA-(8'-PHENYL-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-OXADIAZOLE
SpectraBase Compound ID LyDeWGtpNx6
InChI InChI=1S/C21H18N6O2S/c1-13-22-23-20-26(13)25-18(12-19(30-20)16-6-4-3-5-7-16)15-8-10-17(11-9-15)27-21(28)29-14(2)24-27/h3-11,19H,12H2,1-2H3
InChIKey MQDLRRKDCBAOHZ-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 4kJ8S01B1wC
Name #7M;5-METHYL-3-[PARA-(8'-PHENYL-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-OXADIAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18N6O2S
InChI InChI=1S/C21H18N6O2S/c1-13-22-23-20-26(13)25-18(12-19(30-20)16-6-4-3-5-7-16)15-8-10-17(11-9-15)27-21(28)29-14(2)24-27/h3-11,19H,12H2,1-2H3
InChIKey MQDLRRKDCBAOHZ-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 67272
Solvent Unknown