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TRIS-[5,5'-(1,4-BUTANEDIYLDIAMINO)-TRIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)]-PHANE

View entire compound with spectra: 1 NMR

TRIS-[5,5'-(1,4-BUTANEDIYLDIAMINO)-TRIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)]-PHANE
SpectraBase Compound ID 3FU8FseBxbs
InChI InChI=1S/C30H42N18S6/c1-43-25-31-13-7-8-14-33-27-45(3)39-21(51-27)22-40-47(5)29(52-22)35-17-11-12-18-36-30-48(6)42-24(54-30)23-41-46(4)28(53-23)34-16-10-9-15-32-26-44(2)38-20(50-26)19(37-43)49-25/h7-18H2,1-6H3/b31-25-,32-26-,33-27+,34-28+,35-29+,36-30+
InChIKey JTWSEOGBAZJLBI-VPHLTBCVSA-N
Mol Weight 847.2 g/mol
Molecular Formula C30H42N18S6
Exact Mass 846.21641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dUmcAQ8YZ9
Name TRIS-[5,5'-(1,4-BUTANEDIYLDIAMINO)-TRIS-(4-METHYL-1,3,4-THIADIAZOLO-5-YLIDENE-2-YL)]-PHANE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42N18S6
InChI InChI=1S/C30H42N18S6/c1-43-25-31-13-7-8-14-33-27-45(3)39-21(51-27)22-40-47(5)29(52-22)35-17-11-12-18-36-30-48(6)42-24(54-30)23-41-46(4)28(53-23)34-16-10-9-15-32-26-44(2)38-20(50-26)19(37-43)49-25/h7-18H2,1-6H3/b31-25-,32-26-,33-27+,34-28+,35-29+,36-30+
InChIKey JTWSEOGBAZJLBI-VPHLTBCVSA-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 847.144 g/mol
Solvent CDCl3:TFA