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AFKYSHPTKRZVNP-LECPYYTGSA-N

View entire compound with spectra: 1 NMR

AFKYSHPTKRZVNP-LECPYYTGSA-N
SpectraBase Compound ID Dcl49UrmdgU
InChI InChI=1S/C35H36N2O4S/c1-5-23-20-36(21-30(24-17-15-22(2)16-18-24)42-25-11-7-6-8-12-25)29-19-27(23)32(34(38)40-3)31-26-13-9-10-14-28(26)37(33(29)31)35(39)41-4/h5-18,27,29-30,32H,19-21H2,1-4H3/b23-5-/t27-,29-,30?,32-/m0/s1
InChIKey AFKYSHPTKRZVNP-LECPYYTGSA-N
Mol Weight 580.7 g/mol
Molecular Formula C35H36N2O4S
Exact Mass 580.239579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 991TBTMscnE
Name AFKYSHPTKRZVNP-LECPYYTGSA-N
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H36N2O4S
InChI InChI=1S/C35H36N2O4S/c1-5-23-20-36(21-30(24-17-15-22(2)16-18-24)42-25-11-7-6-8-12-25)29-19-27(23)32(34(38)40-3)31-26-13-9-10-14-28(26)37(33(29)31)35(39)41-4/h5-18,27,29-30,32H,19-21H2,1-4H3/b23-5-/t27-,29-,30?,32-/m0/s1
InChIKey AFKYSHPTKRZVNP-LECPYYTGSA-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 580.742 g/mol
Solvent CDCl3
Source File Reference UWGE1554