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11-[1-(8-acetamido-4-aza-octyl)2-piperidyl]undecanoic acid
SpectraBase Compound ID A5nR2IcK4kv
InChI InChI=1S/C25H49N3O3/c1-23(29)27-20-12-11-18-26-19-14-22-28-21-13-10-16-24(28)15-8-6-4-2-3-5-7-9-17-25(30)31/h24,26H,2-22H2,1H3,(H,27,29)(H,30,31)
InChIKey JSTHQAOVAYZQTN-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C25H49N3O3
Exact Mass 439.377392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ItxXHzHWc1R
Name 11-[1-(8-acetamido-4-aza-octyl)2-piperidyl]undecanoic acid
Alternate Name(s) 11-(1-(3-((4-acetamidobutyl)amino)propyl)piperidin-2-yl)undecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H49N3O3
InChI InChI=1S/C25H49N3O3/c1-23(29)27-20-12-11-18-26-19-14-22-28-21-13-10-16-24(28)15-8-6-4-2-3-5-7-9-17-25(30)31/h24,26H,2-22H2,1H3,(H,27,29)(H,30,31)
InChIKey JSTHQAOVAYZQTN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 439.685 g/mol
SMILES N(CCCN1C(CCCCCCCCCCC(=O)O)CCCC1)CCCCNC(C)=O
SPLASH splash10-001j-9140000000-ecdb6d3d966e6590cc8b
Source of Spectrum H-59-3021-15
Wiley ID 1800005