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3,10-Dihydroxy-15,18,23,26-tetraoxa-5,8-dithia-1,12-diazabicyclo[10.8.8]-octacosane
SpectraBase Compound ID C6wXhRRqR9L
InChI InChI=1S/C20H40N2O6S2/c23-19-15-21-1-5-25-9-10-27-7-3-22(4-8-28-12-11-26-6-2-21)16-20(24)18-30-14-13-29-17-19/h19-20,23-24H,1-18H2
InChIKey QSCFTECTZVXLHD-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C20H40N2O6S2
Exact Mass 468.232779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jfp86j0Bkm9
Name 3,10-Dihydroxy-15,18,23,26-tetraoxa-5,8-dithia-1,12-diazabicyclo[10.8.8]-octacosane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.232779358 u
Formula C20H40N2O6S2
InChI InChI=1S/C20H40N2O6S2/c23-19-15-21-1-5-25-9-10-27-7-3-22(4-8-28-12-11-26-6-2-21)16-20(24)18-30-14-13-29-17-19/h19-20,23-24H,1-18H2
InChIKey QSCFTECTZVXLHD-UHFFFAOYSA-N
Molecular Weight 468.668 g/mol
SMILES C1SCCSCC(CN2CCOCCOCCN(CC1O)CCOCCOCC2)O