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7,16-bis[3-[2-(4-methoxyphenyl)sulfanylphenyl]sulfanylphenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SpectraBase Compound ID 9CthrOd9U3s
InChI InChI=1S/C50H54N2O6S4/c1-53-41-17-21-43(22-18-41)59-47-13-3-5-15-49(47)61-45-11-7-9-39(37-45)51-25-29-55-33-35-57-31-27-52(28-32-58-36-34-56-30-26-51)40-10-8-12-46(38-40)62-50-16-6-4-14-48(50)60-44-23-19-42(54-2)20-24-44/h3-24,37-38H,25-36H2,1-2H3
InChIKey CVLYNZDKEYFYIP-UHFFFAOYSA-N
Mol Weight 907.2 g/mol
Molecular Formula C50H54N2O6S4
Exact Mass 906.286472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kkew1SMrdEG
Name 7,16-bis[3-[2-(4-methoxyphenyl)sulfanylphenyl]sulfanylphenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H54N2O6S4
InChI InChI=1S/C50H54N2O6S4/c1-53-41-17-21-43(22-18-41)59-47-13-3-5-15-49(47)61-45-11-7-9-39(37-45)51-25-29-55-33-35-57-31-27-52(28-32-58-36-34-56-30-26-51)40-10-8-12-46(38-40)62-50-16-6-4-14-48(50)60-44-23-19-42(54-2)20-24-44/h3-24,37-38H,25-36H2,1-2H3
InChIKey CVLYNZDKEYFYIP-UHFFFAOYSA-N
Literature Reference Author K.S.KIM,S.M.HA,J.Y.KIM,K.KIM
Literature Reference Citation J.ORG.CHEM.,64,6483(1999)
Literature Reference DOI 10.1021/jo990322p
Molecular Weight 907.229 g/mol
Sample ID 59313
Solvent CDCl3