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1-{1'-{3'-[4"'-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-oxoundecanoic acid
SpectraBase Compound ID 594cZxPNju2
InChI InChI=1S/C37H57N3O3/c41-31-18-6-4-2-1-3-5-13-25-37(42)43-36-24-14-16-29-40(36)30-19-27-38-26-15-17-28-39(32-34-20-9-7-10-21-34)33-35-22-11-8-12-23-35/h7-12,20-23,31,36,38H,1-6,13-19,24-30,32-33H2
InChIKey RDRWEEOYSFPOQK-UHFFFAOYSA-N
Mol Weight 591.9 g/mol
Molecular Formula C37H57N3O3
Exact Mass 591.439993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HSdqPnJVVf
Name 1-{1'-{3'-[4"'-(Dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-oxoundecanoic acid
Alternate Name(s) 1-(3-{[4-(dibenzylamino)butyl]amino}propyl)-2-piperidinyl 11-oxoundecanoate 1-{1'-{3'-[4'''-(dibenzylamino)butyl]aminopropyl}piperidin-2'''-yl}-11-oxoundecanoic acid
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Formula C37H57N3O3
InChI InChI=1S/C37H57N3O3/c41-31-18-6-4-2-1-3-5-13-25-37(42)43-36-24-14-16-29-40(36)30-19-27-38-26-15-17-28-39(32-34-20-9-7-10-21-34)33-35-22-11-8-12-23-35/h7-12,20-23,31,36,38H,1-6,13-19,24-30,32-33H2
InChIKey RDRWEEOYSFPOQK-UHFFFAOYSA-N
Molecular Weight 591.881 g/mol
SMILES N(CCCN1C(OC(=O)CCCCCCCCCC=O)CCCC1)CCCCN(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-01vo-9520340000-72ac4f20f8947c1e7829
Source of Spectrum H-79-1385-9
Wiley ID 1409435