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2,2',2''-(1,3,5-BENZENETRIYL)-TRIS-[5-(2-BROMOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
SpectraBase Compound ID 235VhU85U18
InChI InChI=1S/C21H24Br3N9S3/c1-31-19(25-7-4-22)34-16(28-31)13-10-14(17-29-32(2)20(35-17)26-8-5-23)12-15(11-13)18-30-33(3)21(36-18)27-9-6-24/h10-12H,4-9H2,1-3H3/b25-19+,26-20+,27-21+
InChIKey JWVDXLJKLWZAKX-IJIGALCQSA-N
Mol Weight 738.38 g/mol
Molecular Formula C21H24Br3N9S3
Exact Mass 734.886694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92w5sLVmu6g
Name 2,2',2''-(1,3,5-BENZENETRIYL)-TRIS-[5-(2-BROMOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24Br3N9S3
InChI InChI=1S/C21H24Br3N9S3/c1-31-19(25-7-4-22)34-16(28-31)13-10-14(17-29-32(2)20(35-17)26-8-5-23)12-15(11-13)18-30-33(3)21(36-18)27-9-6-24/h10-12H,4-9H2,1-3H3/b25-19+,26-20+,27-21+
InChIKey JWVDXLJKLWZAKX-IJIGALCQSA-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 738.374 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWCP6780