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YTKLTDBNEOEAKN-KLIUIJJBSA-N

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YTKLTDBNEOEAKN-KLIUIJJBSA-N
SpectraBase Compound ID 3czg2d7bz8N
InChI InChI=1S/C34H34N2O4S2/c1-4-22-20-35(21-29(41-23-13-7-5-8-14-23)42-24-15-9-6-10-16-24)28-19-26(22)31(33(37)39-2)30-25-17-11-12-18-27(25)36(32(28)30)34(38)40-3/h4-18,26,28-29,31H,19-21H2,1-3H3/b22-4-/t26-,28-,31-/m0/s1
InChIKey YTKLTDBNEOEAKN-KLIUIJJBSA-N
Mol Weight 598.8 g/mol
Molecular Formula C34H34N2O4S2
Exact Mass 598.196 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVnlDAy7gQS
Name YTKLTDBNEOEAKN-KLIUIJJBSA-N
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H34N2O4S2
InChI InChI=1S/C34H34N2O4S2/c1-4-22-20-35(21-29(41-23-13-7-5-8-14-23)42-24-15-9-6-10-16-24)28-19-26(22)31(33(37)39-2)30-25-17-11-12-18-27(25)36(32(28)30)34(38)40-3/h4-18,26,28-29,31H,19-21H2,1-3H3/b22-4-/t26-,28-,31-/m0/s1
InChIKey YTKLTDBNEOEAKN-KLIUIJJBSA-N
Literature Reference Author M.L.BENNASAR,E.ZULAICA,A.RAMIREZ,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,61,1239(1996)
Literature Reference DOI 10.1021/jo951456f
Molecular Weight 598.775 g/mol
Solvent CDCl3
Source File Reference UWGE1553