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Carbonic acid, monoamide, N-benzyl-N-hexadecyl-, propargyl ester

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Carbonic acid, monoamide, N-benzyl-N-hexadecyl-, propargyl ester
SpectraBase Compound ID F66Ne60Yjoi
InChI InChI=1S/C27H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(27(29)30-24-4-2)25-26-21-18-17-19-22-26/h2,17-19,21-22H,3,5-16,20,23-25H2,1H3
InChIKey VIYSFIOFISQPLU-UHFFFAOYSA-N
Mol Weight 413.6 g/mol
Molecular Formula C27H43NO2
Exact Mass 413.32938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OEppeyRvBj
Name Carbonic acid, monoamide, N-benzyl-N-hexadecyl-, propargyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.329379627 u
Formula C27H43NO2
InChI InChI=1S/C27H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(27(29)30-24-4-2)25-26-21-18-17-19-22-26/h2,17-19,21-22H,3,5-16,20,23-25H2,1H3
InChIKey VIYSFIOFISQPLU-UHFFFAOYSA-N
Molecular Weight 413.646 g/mol
SMILES C(N(CCCCCCCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCC#C