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11-[1-(8-acetamido-4-tosyl-4-aza-octyl)2-piperidyl]undecanoic acid
SpectraBase Compound ID BFUohA5sLqa
InChI InChI=1S/C32H55N3O5S/c1-28-19-21-31(22-20-28)41(39,40)35(26-14-12-23-33-29(2)36)27-15-25-34-24-13-11-17-30(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 NLQWCMZQYJJJFY-UHFFFAOYSA-N
Mol Weight 593.9 g/mol
Molecular Formula C32H55N3O5S
Exact Mass 593.386243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RjVAS9QarU
Name 11-[1-(8-acetamido-4-tosyl-4-aza-octyl)2-piperidyl]undecanoic acid
Alternate Name(s) 11-(1-(3-((N-(4-acetamidobutyl)-4-methylphenyl)sulfonamido)propyl)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(26-14-12-23-33-29(2)36)27-15-25-34-24-13-11-17-30(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 NLQWCMZQYJJJFY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 593.868 g/mol
SMILES OC(CCCCCCCCCCC1CCCCN1CCCN(CCCCNC(=O)C)S(c1ccc(C)cc1)(=O)=O)=O
SPLASH splash10-0a4i-6210900000-238cfc70e637e46d8774
Source of Spectrum H-59-3021-14
Wiley ID 1800004