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Carbonic acid, monoamide, N-benzyl-N-octadecyl-, methyl ester

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Carbonic acid, monoamide, N-benzyl-N-octadecyl-, methyl ester
SpectraBase Compound ID Jpieh3PLVZQ
InChI InChI=1S/C27H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(27(29)30-2)25-26-22-19-18-20-23-26/h18-20,22-23H,3-17,21,24-25H2,1-2H3
InChIKey GQIBBTCZCPZLPD-UHFFFAOYSA-N
Mol Weight 417.7 g/mol
Molecular Formula C27H47NO2
Exact Mass 417.36068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYA5P7g0tnK
Name Carbonic acid, monoamide, N-benzyl-N-octadecyl-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.360679755 u
Formula C27H47NO2
InChI InChI=1S/C27H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-28(27(29)30-2)25-26-22-19-18-20-23-26/h18-20,22-23H,3-17,21,24-25H2,1-2H3
InChIKey GQIBBTCZCPZLPD-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES COC(=O)N(CCCCCCCCCCCCCCCCCC)CC1=CC=CC=C1