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2,2'-(2,5-THIOPHENEDIYL)-BIS-[5-(2-AZIDOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
SpectraBase Compound ID 5afBfA3uYwT
InChI InChI=1S/C14H16N12S3/c1-25-13(17-5-7-19-23-15)28-11(21-25)9-3-4-10(27-9)12-22-26(2)14(29-12)18-6-8-20-24-16/h3-4H,5-8H2,1-2H3/b17-13-,18-14+
InChIKey LVVFZJJMSKNANG-SIJTWYJSSA-N
Mol Weight 448.55 g/mol
Molecular Formula C14H16N12S3
Exact Mass 448.078302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lx6kHX0aaU0
Name 2,2'-(2,5-THIOPHENEDIYL)-BIS-[5-(2-AZIDOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16N12S3
InChI InChI=1S/C14H16N12S3/c1-25-13(17-5-7-19-23-15)28-11(21-25)9-3-4-10(27-9)12-22-26(2)14(29-12)18-6-8-20-24-16/h3-4H,5-8H2,1-2H3/b17-13-,18-14+
InChIKey LVVFZJJMSKNANG-SIJTWYJSSA-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 448.541 g/mol
Solvent CDCl3
Source File Reference UWCP6777