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11-[1-(8-acetamido-4-tosyl-4-aza-octyl)2-piperidyl]undecanoic acid methylester
SpectraBase Compound ID 8vWHrJ2wrj3
InChI InChI=1S/C33H57N3O5S/c1-29-20-22-32(23-21-29)42(39,40)36(27-15-13-24-34-30(2)37)28-16-26-35-25-14-12-18-31(35)17-10-8-6-4-5-7-9-11-19-33(38)41-3/h20-23,31H,4-19,24-28H2,1-3H3,(H,34,37)
InChIKey UMVORQUVVHBIIU-UHFFFAOYSA-N
Mol Weight 607.9 g/mol
Molecular Formula C33H57N3O5S
Exact Mass 607.401893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQrmi3zSgH4
Name 11-[1-(8-acetamido-4-tosyl-4-aza-octyl)2-piperidyl]undecanoic acid methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H57N3O5S
InChI InChI=1S/C33H57N3O5S/c1-29-20-22-32(23-21-29)42(39,40)36(27-15-13-24-34-30(2)37)28-16-26-35-25-14-12-18-31(35)17-10-8-6-4-5-7-9-11-19-33(38)41-3/h20-23,31H,4-19,24-28H2,1-3H3,(H,34,37)
InChIKey UMVORQUVVHBIIU-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 607.895 g/mol
SMILES N(CCCCN(CCCN1CCCCC1CCCCCCCCCCC(OC)=O)S(c1ccc(C)cc1)(=O)=O)C(=O)C
SPLASH splash10-0a4j-9210500000-0d58936b1b8858781e97
Source of Spectrum H-59-3021-13
Synonyms Methyl 11-(1-(3-((N-(4-acetamidobutyl)-4-methylphenyl)sulfonamido)propyl)piperidin-2-yl)undecanoate
Wiley ID 1800003