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6-Aminocaproic acid, N-ethoxycarbonyl-, octadecyl ester

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

6-Aminocaproic acid, N-ethoxycarbonyl-, octadecyl ester
SpectraBase Compound ID 9csEemEJp4y
InChI InChI=1S/C27H53NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-26(29)23-20-19-21-24-28-27(30)31-4-2/h3-25H2,1-2H3,(H,28,30)
InChIKey UVVPNLCAOBBVIH-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWeFwMFN5hm
Name 6-Aminocaproic acid, N-ethoxycarbonyl-, octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-32-26(29)23-20-19-21-24-28-27(30)31-4-2/h3-25H2,1-2H3,(H,28,30)
InChIKey UVVPNLCAOBBVIH-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCOC(NCCCCCC(OCCCCCCCCCCCCCCCCCC)=O)=O