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XIYVEEIVVVUXEL-AWMCOZQJSA-N

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XIYVEEIVVVUXEL-AWMCOZQJSA-N
SpectraBase Compound ID 9ZKPvHeBnZN
InChI InChI=1S/2C21H31N3O5S/c2*1-17(22-20(26)29-21(2,3)4)19(25)23-12-8-9-13-24(30(27,28)15-14-23)16-18-10-6-5-7-11-18/h2*5-11,17H,12-16H2,1-4H3,(H,22,26)/b2*9-8-/t2*17-/m00/s1
InChIKey XIYVEEIVVVUXEL-AWMCOZQJSA-N
Mol Weight 875.11 g/mol
Molecular Formula C42H62N6O10S2
Exact Mass 874.396885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ESEu7jaUGb
Name XIYVEEIVVVUXEL-AWMCOZQJSA-N
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H62N6O10S2
InChI InChI=1S/2C21H31N3O5S/c2*1-17(22-20(26)29-21(2,3)4)19(25)23-12-8-9-13-24(30(27,28)15-14-23)16-18-10-6-5-7-11-18/h2*5-11,17H,12-16H2,1-4H3,(H,22,26)/b2*9-8-/t2*17-/m00/s1
InChIKey XIYVEEIVVVUXEL-AWMCOZQJSA-N
Literature Reference Author A.J.BROUWER,R.M.J.LISKAMP
Literature Reference Citation J.ORG.CHEM.,69,3662(2004)
Literature Reference DOI 10.1021/jo0358325
Molecular Weight 875.108 g/mol
Solvent CDCl3
Source File Reference UWVN21353