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11-[1-(8-(N,N-Dibenzylamino)-5-aza-octyl)2-piperidyl]undecanoic acid methylester
SpectraBase Compound ID G5mFueKd3hm
InChI InChI=1S/C38H61N3O2/c1-43-38(42)27-15-7-5-3-2-4-6-14-25-37-26-16-18-31-41(37)32-19-17-28-39-29-20-30-40(33-35-21-10-8-11-22-35)34-36-23-12-9-13-24-36/h8-13,21-24,37,39H,2-7,14-20,25-34H2,1H3
InChIKey VSBCILBULWSUBF-UHFFFAOYSA-N
Mol Weight 591.9 g/mol
Molecular Formula C38H61N3O2
Exact Mass 591.476378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TJV3LJutS6
Name 11-[1-(8-(N,N-Dibenzylamino)-5-aza-octyl)2-piperidyl]undecanoic acid methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H61N3O2
InChI InChI=1S/C38H61N3O2/c1-43-38(42)27-15-7-5-3-2-4-6-14-25-37-26-16-18-31-41(37)32-19-17-28-39-29-20-30-40(33-35-21-10-8-11-22-35)34-36-23-12-9-13-24-36/h8-13,21-24,37,39H,2-7,14-20,25-34H2,1H3
InChIKey VSBCILBULWSUBF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 591.925 g/mol
SMILES N(CCCCN1C(CCCC1)CCCCCCCCCCC(=O)OC)CCCN(Cc1ccccc1)Cc1ccccc1
SPLASH splash10-001i-9131000000-9aaffc0121c6cdab3c8a
Source of Spectrum H-59-3024-27
Synonyms Methyl 11-(1-(4-((3-(dibenzylamino)propyl)amino)butyl)piperidin-2-yl)undecanoate
Wiley ID 1800015