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11-[1-(8-acetamido-4-acetyl-4-aza-octyl)-2-piperidyl]undecanoic acid methylester
SpectraBase Compound ID L4SHC1uydYh
InChI InChI=1S/C28H53N3O4/c1-25(32)29-20-13-15-21-30(26(2)33)23-16-24-31-22-14-12-18-27(31)17-10-8-6-4-5-7-9-11-19-28(34)35-3/h27H,4-24H2,1-3H3,(H,29,32)
InChIKey QCYYFFLXOYOMLT-UHFFFAOYSA-N
Mol Weight 495.7 g/mol
Molecular Formula C28H53N3O4
Exact Mass 495.403607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgC3BzPiq1J
Name 11-[1-(8-acetamido-4-acetyl-4-aza-octyl)-2-piperidyl]undecanoic acid methylester
Alternate Name(s) Methyl 11-(1-(3-(N-(4-acetamidobutyl)acetamido)propyl)piperidin-2-yl)undecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H53N3O4
InChI InChI=1S/C28H53N3O4/c1-25(32)29-20-13-15-21-30(26(2)33)23-16-24-31-22-14-12-18-27(31)17-10-8-6-4-5-7-9-11-19-28(34)35-3/h27H,4-24H2,1-3H3,(H,29,32)
InChIKey QCYYFFLXOYOMLT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.19760590839
Molecular Weight 495.749 g/mol
SMILES N(C(C)=O)CCCCN(CCCN1C(CCCC1)CCCCCCCCCCC(=O)OC)C(=O)C
SPLASH splash10-0002-4290000000-04e009c52fa49c69ff23
Source of Spectrum H-59-3021-16
Wiley ID 1800006