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11-[1-(8-Amino-5-tosyl-5-aza-octyl)2-piperidyl]undecanoic acid methylester
SpectraBase Compound ID ETELphgvasI
InChI InChI=1S/C31H55N3O4S/c1-28-19-21-30(22-20-28)39(36,37)34(27-15-23-32)26-14-13-25-33-24-12-11-17-29(33)16-9-7-5-3-4-6-8-10-18-31(35)38-2/h19-22,29H,3-18,23-27,32H2,1-2H3
InChIKey USJYQTQREJEIIV-UHFFFAOYSA-N
Mol Weight 565.9 g/mol
Molecular Formula C31H55N3O4S
Exact Mass 565.391328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfJvrAAvcwj
Name 11-[1-(8-Amino-5-tosyl-5-aza-octyl)2-piperidyl]undecanoic acid methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H55N3O4S
InChI InChI=1S/C31H55N3O4S/c1-28-19-21-30(22-20-28)39(36,37)34(27-15-23-32)26-14-13-25-33-24-12-11-17-29(33)16-9-7-5-3-4-6-8-10-18-31(35)38-2/h19-22,29H,3-18,23-27,32H2,1-2H3
InChIKey USJYQTQREJEIIV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 565.858 g/mol
SMILES NCCCN(CCCCN1CCCCC1CCCCCCCCCCC(OC)=O)S(c1ccc(C)cc1)(=O)=O
SPLASH splash10-001l-9210000000-27f4a5a1b7eeec3db084
Source of Spectrum H-59-3024-24
Synonyms Methyl 11-(1-(4-((N-(3-aminopropyl)-4-methylphenyl)sulfonamido)butyl)piperidin-2-yl)undecanoate
Wiley ID 1800013