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2,2'-META-PHENYLENE-BIS-[4,5-DIHYDRO-4-METHYL-5-ALPHA-METHYLBENZYLIMINO-1,3,4-THIADIAZOLE]
SpectraBase Compound ID BWlOunftZ6z
InChI InChI=1S/C28H28N6S2/c1-19(21-12-7-5-8-13-21)29-27-33(3)31-25(35-27)23-16-11-17-24(18-23)26-32-34(4)28(36-26)30-20(2)22-14-9-6-10-15-22/h5-20H,1-4H3/b29-27-,30-28-
InChIKey LLANUNYWFZHHFJ-ZUELCTOOSA-N
Mol Weight 512.69 g/mol
Molecular Formula C28H28N6S2
Exact Mass 512.181687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IU9J3CZ2Bj
Name 2,2'-META-PHENYLENE-BIS-[4,5-DIHYDRO-4-METHYL-5-ALPHA-METHYLBENZYLIMINO-1,3,4-THIADIAZOLE]
Compound Number 5J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H28N6S2
InChI InChI=1S/C28H28N6S2/c1-19(21-12-7-5-8-13-21)29-27-33(3)31-25(35-27)23-16-11-17-24(18-23)26-32-34(4)28(36-26)30-20(2)22-14-9-6-10-15-22/h5-20H,1-4H3/b29-27-,30-28-
InChIKey LLANUNYWFZHHFJ-ZUELCTOOSA-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 512.691 g/mol
Solvent CDCl3
Source File Reference UWCP6767