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Cyclohexanecarboxylic acid, 2-[(dioctadecylamino)carbonyl]-, cis-
SpectraBase Compound ID Gqyt5eIHXFF
InChI InChI=1S/C44H85NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45(43(46)41-37-33-34-38-42(41)44(47)48)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42H,3-40H2,1-2H3,(H,47,48)/t41-,42+/m0/s1
InChIKey MJHHLVWKHFMSSE-ACEXITHZSA-N
Mol Weight 676.2 g/mol
Molecular Formula C44H85NO3
Exact Mass 675.652946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6qQwLOucp8n
Name Cyclohexanecarboxylic acid, 2-[(dioctadecylamino)carbonyl]-, cis-
CAS Registry Number 82280-28-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H85NO3
InChI InChI=1S/C44H85NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45(43(46)41-37-33-34-38-42(41)44(47)48)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-42H,3-40H2,1-2H3,(H,47,48)/t41-,42+/m0/s1
InChIKey MJHHLVWKHFMSSE-ACEXITHZSA-N
Molecular Weight 676.168 g/mol
SMILES OC([C@]1([C@@](C(N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)=O)(CCCC1)[H])[H])=O
SPLASH splash10-0f89-0090000000-18e4421f8cf4f5aa41c0
Source of Spectrum H-65-61-0
Synonyms (1R,2S)-2-[(dioctadecylamino)carbonyl]cyclohexanecarboxylic acid cis-2-(N,N-dioctadecylcarbamoyl)-1-cyclohexanecarboxylic acid
Wiley ID 1414139