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6-Aminocaproic acid, N-butoxycarbonyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-butoxycarbonyl-, tetradecyl ester
SpectraBase Compound ID JhClxKu3UvV
InChI InChI=1S/C25H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-29-24(27)20-17-16-18-21-26-25(28)30-22-6-4-2/h3-23H2,1-2H3,(H,26,28)
InChIKey YMVFGOXRZMTWHS-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cQrB9hxSVL
Name 6-Aminocaproic acid, N-butoxycarbonyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-3-5-7-8-9-10-11-12-13-14-15-19-23-29-24(27)20-17-16-18-21-26-25(28)30-22-6-4-2/h3-23H2,1-2H3,(H,26,28)
InChIKey YMVFGOXRZMTWHS-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CCCCOC(NCCCCCC(OCCCCCCCCCCCCCC)=O)=O