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11-[1-(8-Amino-5-tosyl-5-aza-octyl)2-piperidyl]undecanoic acid
SpectraBase Compound ID 52RN7KFpLuA
InChI InChI=1S/C30H53N3O4S/c1-27-18-20-29(21-19-27)38(36,37)33(26-14-22-31)25-13-12-24-32-23-11-10-16-28(32)15-8-6-4-2-3-5-7-9-17-30(34)35/h18-21,28H,2-17,22-26,31H2,1H3,(H,34,35)
InChIKey KFVAVUUBLXKIEB-UHFFFAOYSA-N
Mol Weight 551.8 g/mol
Molecular Formula C30H53N3O4S
Exact Mass 551.375678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KGjf0JIEXpD
Name 11-[1-(8-Amino-5-tosyl-5-aza-octyl)2-piperidyl]undecanoic acid
Alternate Name(s) 11-(1-(4-((N-(3-aminopropyl)-4-methylphenyl)sulfonamido)butyl)piperidin-2-yl)undecanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H53N3O4S
InChI InChI=1S/C30H53N3O4S/c1-27-18-20-29(21-19-27)38(36,37)33(26-14-22-31)25-13-12-24-32-23-11-10-16-28(32)15-8-6-4-2-3-5-7-9-17-30(34)35/h18-21,28H,2-17,22-26,31H2,1H3,(H,34,35)
InChIKey KFVAVUUBLXKIEB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 551.831 g/mol
SMILES OC(CCCCCCCCCCC1CCCCN1CCCCN(CCCN)S(c1ccc(C)cc1)(=O)=O)=O
SPLASH splash10-001j-9302000000-0e70324ffda6d7a0e899
Source of Spectrum H-59-3024-21
Wiley ID 1800010