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2,2'-META-PHENYLENE-BIS-[5-(2-AZIDOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
SpectraBase Compound ID jYndjNHBiG
InChI InChI=1S/C16H18N12S2/c1-27-15(19-6-8-21-25-17)29-13(23-27)11-4-3-5-12(10-11)14-24-28(2)16(30-14)20-7-9-22-26-18/h3-5,10H,6-9H2,1-2H3/b19-15-,20-16+
InChIKey JLEYIHKLRAYXBL-VBGLAJCLSA-N
Mol Weight 442.52 g/mol
Molecular Formula C16H18N12S2
Exact Mass 442.121881 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DEhbs6JNNsc
Name 2,2'-META-PHENYLENE-BIS-[5-(2-AZIDOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18N12S2
InChI InChI=1S/C16H18N12S2/c1-27-15(19-6-8-21-25-17)29-13(23-27)11-4-3-5-12(10-11)14-24-28(2)16(30-14)20-7-9-22-26-18/h3-5,10H,6-9H2,1-2H3/b19-15-,20-16+
InChIKey JLEYIHKLRAYXBL-VBGLAJCLSA-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 442.519 g/mol
Solvent CDCl3
Source File Reference UWCP6764