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6,8-DIMERCAPTO-1-(1,4,7,10,13-PENTAOXA-16-AZACYCLOOCTADEC-16-YL)-OCTAN-1-ONE
SpectraBase Compound ID 7U7MjaFzCIs
InChI InChI=1S/C20H39NO6S2/c22-20(4-2-1-3-19(29)5-18-28)21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-21/h19,28-29H,1-18H2
InChIKey UZIXJGYRPSVSPV-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C20H39NO6S2
Exact Mass 453.22188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8BPVs6ieye9
Name 6,8-DIMERCAPTO-1-(1,4,7,10,13-PENTAOXA-16-AZACYCLOOCTADEC-16-YL)-OCTAN-1-ONE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H39NO6S2
InChI InChI=1S/C20H39NO6S2/c22-20(4-2-1-3-19(29)5-18-28)21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-21/h19,28-29H,1-18H2
InChIKey UZIXJGYRPSVSPV-UHFFFAOYSA-N
Literature Reference Author M.WILHELM,E.BERSSEN,R.KOCH,H.STRASDEIT
Literature Reference Citation MH.CHEM.,133,1097(2002)
Literature Reference DOI 10.1007/s007060200080
Molecular Weight 453.653 g/mol
Solvent CDCl3
Source File Reference UWKP4547