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Valeramide, N-benzyl-N-octadecyl-

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Valeramide, N-benzyl-N-octadecyl-
SpectraBase Compound ID 7LtdAJKTWX1
InChI InChI=1S/C30H53NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-31(30(32)26-6-4-2)28-29-24-21-20-22-25-29/h20-22,24-25H,3-19,23,26-28H2,1-2H3
InChIKey ZBNCJRGZPKXIGD-UHFFFAOYSA-N
Mol Weight 443.8 g/mol
Molecular Formula C30H53NO
Exact Mass 443.412715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYQPc8RSol6
Name Valeramide, N-benzyl-N-octadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 443.412715330 u
Formula C30H53NO
InChI InChI=1S/C30H53NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-31(30(32)26-6-4-2)28-29-24-21-20-22-25-29/h20-22,24-25H,3-19,23,26-28H2,1-2H3
InChIKey ZBNCJRGZPKXIGD-UHFFFAOYSA-N
Molecular Weight 443.760 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)CCCC