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Carbonic acid, monoamide, N-benzyl-N-dodecyl-, benzyl ester

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Carbonic acid, monoamide, N-benzyl-N-dodecyl-, benzyl ester
SpectraBase Compound ID HtxfJyo8hk
InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-17-22-28(23-25-18-13-11-14-19-25)27(29)30-24-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3
InChIKey DLLIEVIQVYTFFR-UHFFFAOYSA-N
Mol Weight 409.6 g/mol
Molecular Formula C27H39NO2
Exact Mass 409.298079 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXSg5hfWjUa
Name Carbonic acid, monoamide, N-benzyl-N-dodecyl-, benzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.298079498 u
Formula C27H39NO2
InChI InChI=1S/C27H39NO2/c1-2-3-4-5-6-7-8-9-10-17-22-28(23-25-18-13-11-14-19-25)27(29)30-24-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3
InChIKey DLLIEVIQVYTFFR-UHFFFAOYSA-N
Molecular Weight 409.614 g/mol
SMILES C(N(CCCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCC=1C=CC=CC1