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Cyclohexanecarboxylic acid, 2-[(dioctadecylamino)carbonyl]-, cis-

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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Er75Mg22h7X
Name Cyclohexanecarboxylic acid, 2-[(dioctadecylamino)carbonyl]-, cis-
Comments Computed using HOSE algorithm
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Exact Mass 675.652945598 u
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
SMILES C([C@@]1([C@](C(=O)O)(CCCC1)[H])[H])(N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)=O