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Cyclohexanecarboxamide, 4-methoxy-N-(2-pentyl)-N-tetradecyl-, trans
SpectraBase Compound ID AFKS1qkPMzw
InChI InChI=1S/C27H53NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-23-28(24(3)18-6-2)27(29)25-19-21-26(30-4)22-20-25/h24-26H,5-23H2,1-4H3/t24?,25-,26-
InChIKey KFQSINXAAADXMC-FJUZFHEGSA-N
Mol Weight 423.7 g/mol
Molecular Formula C27H53NO2
Exact Mass 423.40763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdQuz8zLuJk
Name Cyclohexanecarboxamide, 4-methoxy-N-(2-pentyl)-N-tetradecyl-, trans
Comments Computed using HOSE algorithm
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Exact Mass 423.407629949 u
Formula C27H53NO2
InChI InChI=1S/C27H53NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-23-28(24(3)18-6-2)27(29)25-19-21-26(30-4)22-20-25/h24-26H,5-23H2,1-4H3/t24?,25-,26-
InChIKey KFQSINXAAADXMC-FJUZFHEGSA-N
Molecular Weight 423.726 g/mol
SMILES CCCC(N(C(=O)[C@]1(CC[C@](OC)(CC1)[H])[H])CCCCCCCCCCCCCC)C