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1-{1'-{3'-[4"'-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one
SpectraBase Compound ID J9c4wGGP9d7
InChI InChI=1S/C42H67N3O3/c46-42(25-13-5-3-1-2-4-6-18-33-48-40-26-34-47-35-27-40)41-24-14-16-31-45(41)32-19-29-43-28-15-17-30-44(36-38-20-9-7-10-21-38)37-39-22-11-8-12-23-39/h7-12,20-23,40-41,43H,1-6,13-19,24-37H2
InChIKey MNVAZIXFIFLXSO-UHFFFAOYSA-N
Mol Weight 662.0 g/mol
Molecular Formula C42H67N3O3
Exact Mass 661.518243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ejItn1yVud
Name 1-{1'-{3'-[4"'-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one
Alternate Name(s) 1-{1'-{3'-[4'''-(dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one 1-{1'-{3'-[4'''-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-[(tetrahydro-2H-pyran-2-yl)oxy]undecan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H67N3O3
InChI InChI=1S/C42H67N3O3/c46-42(25-13-5-3-1-2-4-6-18-33-48-40-26-34-47-35-27-40)41-24-14-16-31-45(41)32-19-29-43-28-15-17-30-44(36-38-20-9-7-10-21-38)37-39-22-11-8-12-23-39/h7-12,20-23,40-41,43H,1-6,13-19,24-37H2
InChIKey MNVAZIXFIFLXSO-UHFFFAOYSA-N
Molecular Weight 662.016 g/mol
SMILES N(CCCN1C(C(=O)CCCCCCCCCCOC2CCOCC2)CCCC1)CCCCN(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-0007-9101020000-18d78a8e71e3afc46d63
Source of Spectrum H-79-1384-7
Wiley ID 1413612