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3,13-Dihydroxy-5,8,11,18,21,26,29-heptaoxa-1,15-diazabicyclo[13.8.8]-hentriacontane

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3,13-Dihydroxy-5,8,11,18,21,26,29-heptaoxa-1,15-diazabicyclo[13.8.8]-hentriacontane
SpectraBase Compound ID LESJzj7LGys
InChI InChI=1S/C22H44N2O9/c25-21-17-23-1-5-27-9-10-29-7-3-24(4-8-30-12-11-28-6-2-23)18-22(26)20-33-16-14-31-13-15-32-19-21/h21-22,25-26H,1-20H2
InChIKey BVUDOCZZNSNSJL-UHFFFAOYSA-N
Mol Weight 480.6 g/mol
Molecular Formula C22H44N2O9
Exact Mass 480.304681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6iXy6FHTUnR
Name 3,13-Dihydroxy-5,8,11,18,21,26,29-heptaoxa-1,15-diazabicyclo[13.8.8]-hentriacontane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.304680996 u
Formula C22H44N2O9
InChI InChI=1S/C22H44N2O9/c25-21-17-23-1-5-27-9-10-29-7-3-24(4-8-30-12-11-28-6-2-23)18-22(26)20-33-16-14-31-13-15-32-19-21/h21-22,25-26H,1-20H2
InChIKey BVUDOCZZNSNSJL-UHFFFAOYSA-N
Molecular Weight 480.599 g/mol
SMILES C1COCC(CN2CCOCCOCCN(CC(COCCO1)O)CCOCCOCC2)O