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KZJJEWRSZRMWJO-PJEPRTEXSA-N

View entire compound with spectra: 1 NMR

KZJJEWRSZRMWJO-PJEPRTEXSA-N
SpectraBase Compound ID GZd1JJm1ble
InChI InChI=1S/C48H38N4O4S4/c1-57(53)33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(16-8-30)58(2)54)41-25-27-43(51-41)48(32-11-19-36(20-12-32)60(4)56)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(18-10-31)59(3)55/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey KZJJEWRSZRMWJO-PJEPRTEXSA-N
Mol Weight 863.1 g/mol
Molecular Formula C48H38N4O4S4
Exact Mass 862.17759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItlDC97poHR
Name KZJJEWRSZRMWJO-PJEPRTEXSA-N
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H38N4O4S4
InChI InChI=1S/C48H38N4O4S4/c1-57(53)33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(16-8-30)58(2)54)41-25-27-43(51-41)48(32-11-19-36(20-12-32)60(4)56)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(18-10-31)59(3)55/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChIKey KZJJEWRSZRMWJO-PJEPRTEXSA-N
Literature Reference Author J.YANG,B.GABRIELE,S.BELVEDERE,Y.HUANG,R.BRESLOW
Literature Reference Citation J.ORG.CHEM.,67,5057(2002)
Literature Reference DOI 10.1021/jo020174u
Molecular Weight 863.094 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI21637