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Carbonic acid, monoamide, N-benzyl-N-undecyl-, octyl ester

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Carbonic acid, monoamide, N-benzyl-N-undecyl-, octyl ester
SpectraBase Compound ID BxNNT5KEBXE
InChI InChI=1S/C27H47NO2/c1-3-5-7-9-11-12-13-14-19-23-28(25-26-21-17-16-18-22-26)27(29)30-24-20-15-10-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3
InChIKey VAQNMJLKEMPBEJ-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 KKsW9XFvL5t
Name Carbonic acid, monoamide, N-benzyl-N-undecyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.360679755 u
Formula C27H47NO2
InChI InChI=1S/C27H47NO2/c1-3-5-7-9-11-12-13-14-19-23-28(25-26-21-17-16-18-22-26)27(29)30-24-20-15-10-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3
InChIKey VAQNMJLKEMPBEJ-UHFFFAOYSA-N
Molecular Weight 417.678 g/mol
SMILES C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCCCCCCCC