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22-Benzyl-20,24-dihydroxy-4,7,13,16-tetraoxa-1,10,22-triazabicyclo[8.8.7]pentacosane

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22-Benzyl-20,24-dihydroxy-4,7,13,16-tetraoxa-1,10,22-triazabicyclo[8.8.7]pentacosane
SpectraBase Compound ID 16npRKmjVRk
InChI InChI=1S/C25H43N3O6/c29-24-19-26-6-10-31-14-15-33-12-8-27(9-13-34-17-16-32-11-7-26)20-25(30)22-28(21-24)18-23-4-2-1-3-5-23/h1-5,24-25,29-30H,6-22H2
InChIKey ACTVUHIRLSNMMJ-UHFFFAOYSA-N
Mol Weight 481.6 g/mol
Molecular Formula C25H43N3O6
Exact Mass 481.315186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PkYEqpPaYV
Name 22-Benzyl-20,24-dihydroxy-4,7,13,16-tetraoxa-1,10,22-triazabicyclo[8.8.7]pentacosane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.315186111 u
Formula C25H43N3O6
InChI InChI=1S/C25H43N3O6/c29-24-19-26-6-10-31-14-15-33-12-8-27(9-13-34-17-16-32-11-7-26)20-25(30)22-28(21-24)18-23-4-2-1-3-5-23/h1-5,24-25,29-30H,6-22H2
InChIKey ACTVUHIRLSNMMJ-UHFFFAOYSA-N
Molecular Weight 481.634 g/mol
SMILES C1N(CC(CN2CCOCCOCCN(CC1O)CCOCCOCC2)O)CC1=CC=CC=C1