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BIS-[5,5'-(3,6-DIOXA-1,8-OCTANDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(2,6-PYRIDINEDIYL)]-PHANE
SpectraBase Compound ID GnHhGlwiQ24
InChI InChI=1S/C34H42N14O4S4/c1-45-31-35-11-15-49-19-20-50-16-12-37-33-47(3)43-29(55-33)25-9-6-10-26(40-25)30-44-48(4)34(56-30)38-14-18-52-22-21-51-17-13-36-32-46(2)42-28(54-32)24-8-5-7-23(39-24)27(41-45)53-31/h5-10H,11-22H2,1-4H3/b35-31-,36-32-,37-33-,38-34+
InChIKey GKMJHPWSYFZTGV-NDTSFEBRSA-N
Mol Weight 839.0 g/mol
Molecular Formula C34H42N14O4S4
Exact Mass 838.239631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yAlKHqsywO
Name BIS-[5,5'-(3,6-DIOXA-1,8-OCTANDIYLDIAMINO)-BIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)-(2,6-PYRIDINEDIYL)]-PHANE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H42N14O4S4
InChI InChI=1S/C34H42N14O4S4/c1-45-31-35-11-15-49-19-20-50-16-12-37-33-47(3)43-29(55-33)25-9-6-10-26(40-25)30-44-48(4)34(56-30)38-14-18-52-22-21-51-17-13-36-32-46(2)42-28(54-32)24-8-5-7-23(39-24)27(41-45)53-31/h5-10H,11-22H2,1-4H3/b35-31-,36-32-,37-33-,38-34+
InChIKey GKMJHPWSYFZTGV-NDTSFEBRSA-N
Literature Reference Author P.MOLINA,A.TARRAGA,C.GASPAR,A.ESPINOSA
Literature Reference Citation J.ORG.CHEM.,59,3665(1994)
Literature Reference DOI 10.1021/jo00092a027
Molecular Weight 839.039 g/mol
Solvent CDCl3