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2-Aminocaprylic acid, N-ethoxycarbonyl-, octadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Aminocaprylic acid, N-ethoxycarbonyl-, octadecyl ester
SpectraBase Compound ID Y4W0ewypUP
InChI InChI=1S/C29H57NO4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-34-28(31)27(25-23-10-8-5-2)30-29(32)33-6-3/h27H,4-26H2,1-3H3,(H,30,32)
InChIKey MGYHYICKMIPTKB-UHFFFAOYSA-N
Mol Weight 483.8 g/mol
Molecular Formula C29H57NO4
Exact Mass 483.428759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2Hto4i20Os
Name 2-Aminocaprylic acid, N-ethoxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.428759315 u
Formula C29H57NO4
InChI InChI=1S/C29H57NO4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-34-28(31)27(25-23-10-8-5-2)30-29(32)33-6-3/h27H,4-26H2,1-3H3,(H,30,32)
InChIKey MGYHYICKMIPTKB-UHFFFAOYSA-N
Molecular Weight 483.778 g/mol
SMILES CCCCCCC(NC(OCC)=O)C(=O)OCCCCCCCCCCCCCCCCCC