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Carbonic acid, monoamide, N-(2-pentyl)-N-octadecyl-, propargyl ester

View entire compound with spectra: 1 NMR

Carbonic acid, monoamide, N-(2-pentyl)-N-octadecyl-, propargyl ester
SpectraBase Compound ID 6ckzsztYjn
InChI InChI=1S/C27H51NO2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(26(4)23-6-2)27(29)30-25-7-3/h3,26H,5-6,8-25H2,1-2,4H3
InChIKey DZLIOMCUPJTBMI-UHFFFAOYSA-N
Mol Weight 421.7 g/mol
Molecular Formula C27H51NO2
Exact Mass 421.39198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRE1g0LpVre
Name Carbonic acid, monoamide, N-(2-pentyl)-N-octadecyl-, propargyl ester
Comments Computed using HOSE algorithm
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Exact Mass 421.391979884 u
Formula C27H51NO2
InChI InChI=1S/C27H51NO2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(26(4)23-6-2)27(29)30-25-7-3/h3,26H,5-6,8-25H2,1-2,4H3
InChIKey DZLIOMCUPJTBMI-UHFFFAOYSA-N
Molecular Weight 421.710 g/mol
SMILES CCCC(C)N(C(OCC#C)=O)CCCCCCCCCCCCCCCCCC