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2,2'-(2,6-PYRIDODIYL)-BIS-[4,5-DIHYDRO-4-METHYL-5-(ALPHA-METHYL)-BENZYLIMINO-1,3,4-THIADIAZOLE]
SpectraBase Compound ID 9SaccJoAegE
InChI InChI=1S/C27H27N7S2/c1-18(20-12-7-5-8-13-20)28-26-33(3)31-24(35-26)22-16-11-17-23(30-22)25-32-34(4)27(36-25)29-19(2)21-14-9-6-10-15-21/h5-19H,1-4H3/b28-26-,29-27-
InChIKey JODSXCRUVNPULT-UKDOXLPISA-N
Mol Weight 513.68 g/mol
Molecular Formula C27H27N7S2
Exact Mass 513.176936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GoIH0cPiJ4
Name 2,2'-(2,6-PYRIDODIYL)-BIS-[4,5-DIHYDRO-4-METHYL-5-(ALPHA-METHYL)-BENZYLIMINO-1,3,4-THIADIAZOLE]
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27N7S2
InChI InChI=1S/C27H27N7S2/c1-18(20-12-7-5-8-13-20)28-26-33(3)31-24(35-26)22-16-11-17-23(30-22)25-32-34(4)27(36-25)29-19(2)21-14-9-6-10-15-21/h5-19H,1-4H3/b28-26-,29-27-
InChIKey JODSXCRUVNPULT-UKDOXLPISA-N
Literature Reference Author P.MOLINA,A.TARRAGA,I.DIAZ,A.ESPINOSA,C.GASPAR
Literature Reference Citation HETEROCYCLES,36,1263(1993)
Literature Reference DOI 10.3987/COM-92-6275
Molecular Weight 513.678 g/mol
Solvent CDCl3
Source File Reference UWCP6775