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Cyclohexanecarboxamide, 4-methoxy-N-(2-pentyl)-N-octadecyl-, trans
SpectraBase Compound ID AxZJ1LKbywu
InChI InChI=1S/C31H61NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-32(28(3)22-6-2)31(33)29-23-25-30(34-4)26-24-29/h28-30H,5-27H2,1-4H3/t28?,29-,30-
InChIKey CIVTWZNIOUJWAD-PXZAGRAOSA-N
Mol Weight 479.8 g/mol
Molecular Formula C31H61NO2
Exact Mass 479.47023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Axb3ViUSRZs
Name Cyclohexanecarboxamide, 4-methoxy-N-(2-pentyl)-N-octadecyl-, trans
Comments Computed using HOSE algorithm
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Exact Mass 479.470230206 u
Formula C31H61NO2
InChI InChI=1S/C31H61NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-32(28(3)22-6-2)31(33)29-23-25-30(34-4)26-24-29/h28-30H,5-27H2,1-4H3/t28?,29-,30-
InChIKey CIVTWZNIOUJWAD-PXZAGRAOSA-N
Molecular Weight 479.834 g/mol
SMILES CCCC(N(C(=O)[C@]1(CC[C@](OC)(CC1)[H])[H])CCCCCCCCCCCCCCCCCC)C