For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
11-[1-(8-acetamido-5-tosyl-5-aza-octyl)2-piperidyl]undecanoic acid
SpectraBase Compound ID E4PDLjjf8yV
InChI InChI=1S/C32H55N3O5S/c1-28-19-21-31(22-20-28)41(39,40)35(27-15-23-33-29(2)36)26-14-13-25-34-24-12-11-17-30(34)16-9-7-5-3-4-6-8-10-18-32(37)38/h19-22,30H,3-18,23-27H2,1-2H3,(H,33,36)(H,37,38)
InChIKey KMPOOSFKAREDJU-UHFFFAOYSA-N
Mol Weight 593.9 g/mol
Molecular Formula C32H55N3O5S
Exact Mass 593.386243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 40tbhhCFo0D
Name 11-[1-(8-acetamido-5-tosyl-5-aza-octyl)2-piperidyl]undecanoic acid
Alternate Name(s) 11-(1-(4-((N-(3-acetamidopropyl)-4-methylphenyl)sulfonamido)butyl)piperidin-2-yl)undecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H55N3O5S
InChI InChI=1S/C32H55N3O5S/c1-28-19-21-31(22-20-28)41(39,40)35(27-15-23-33-29(2)36)26-14-13-25-34-24-12-11-17-30(34)16-9-7-5-3-4-6-8-10-18-32(37)38/h19-22,30H,3-18,23-27H2,1-2H3,(H,33,36)(H,37,38)
InChIKey KMPOOSFKAREDJU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 593.868 g/mol
SMILES OC(CCCCCCCCCCC1CCCCN1CCCCN(CCCNC(=O)C)S(c1ccc(C)cc1)(=O)=O)=O
SPLASH splash10-0a5a-9300500000-587c5a5dfe9464b7d3eb
Source of Spectrum H-59-3023-23
Wiley ID 1800012