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6-Aminocaproic acid, N-isobutoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-isobutoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID RkyRH9yns8
InChI InChI=1S/C26H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-25(28)20-17-16-18-21-27-26(29)31-23-24(2)3/h24H,4-23H2,1-3H3,(H,27,29)
InChIKey OOWOVCBLFZDNHW-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HkuthJoFiE
Name 6-Aminocaproic acid, N-isobutoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-30-25(28)20-17-16-18-21-27-26(29)31-23-24(2)3/h24H,4-23H2,1-3H3,(H,27,29)
InChIKey OOWOVCBLFZDNHW-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES C(COC(NCCCCCC(OCCCCCCCCCCCCCCC)=O)=O)(C)C