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Carbamic acid, N-(2-butyl)-N-octadecyl-, benzyl ester

View entire compound with spectra: 1 NMR

Carbamic acid, N-(2-butyl)-N-octadecyl-, benzyl ester
SpectraBase Compound ID 78eemgCwKXX
InChI InChI=1S/C30H53NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-31(28(3)5-2)30(32)33-27-29-24-21-20-22-25-29/h20-22,24-25,28H,4-19,23,26-27H2,1-3H3
InChIKey NIEJBNCWCZYCPS-UHFFFAOYSA-N
Mol Weight 459.8 g/mol
Molecular Formula C30H53NO2
Exact Mass 459.40763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IPJmosTMDBD
Name Carbamic acid, N-(2-butyl)-N-octadecyl-, benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 459.407629949 u
Formula C30H53NO2
InChI InChI=1S/C30H53NO2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-31(28(3)5-2)30(32)33-27-29-24-21-20-22-25-29/h20-22,24-25,28H,4-19,23,26-27H2,1-3H3
InChIKey NIEJBNCWCZYCPS-UHFFFAOYSA-N
Molecular Weight 459.759 g/mol
SMILES C(N(CCCCCCCCCCCCCCCCCC)C(CC)C)(=O)OCC1=CC=CC=C1