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Valeramide, 2-methyl-N-benzyl-N-octadecyl-
SpectraBase Compound ID KNlpBVhXctq
InChI InChI=1S/C31H55NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-32(31(33)29(3)24-5-2)28-30-25-21-20-22-26-30/h20-22,25-26,29H,4-19,23-24,27-28H2,1-3H3
InChIKey SIOYQZYKWPHTJJ-UHFFFAOYSA-N
Mol Weight 457.8 g/mol
Molecular Formula C31H55NO
Exact Mass 457.428365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HcKhfrTKq5u
Name Valeramide, 2-methyl-N-benzyl-N-octadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 457.428365394 u
Formula C31H55NO
InChI InChI=1S/C31H55NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-32(31(33)29(3)24-5-2)28-30-25-21-20-22-26-30/h20-22,25-26,29H,4-19,23-24,27-28H2,1-3H3
InChIKey SIOYQZYKWPHTJJ-UHFFFAOYSA-N
Molecular Weight 457.787 g/mol
SMILES C(=O)(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)C(C)CCC