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6-Aminocaproic acid, N-benzyloxycarbonyl-, undecyl ester

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-benzyloxycarbonyl-, undecyl ester
SpectraBase Compound ID LVoaCefLudD
InChI InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-16-21-29-24(27)19-14-11-15-20-26-25(28)30-22-23-17-12-10-13-18-23/h10,12-13,17-18H,2-9,11,14-16,19-22H2,1H3,(H,26,28)
InChIKey AJOPHSXEMIPBMO-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7JmJXz6Nr2e
Name 6-Aminocaproic acid, N-benzyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-2-3-4-5-6-7-8-9-16-21-29-24(27)19-14-11-15-20-26-25(28)30-22-23-17-12-10-13-18-23/h10,12-13,17-18H,2-9,11,14-16,19-22H2,1H3,(H,26,28)
InChIKey AJOPHSXEMIPBMO-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES C1=CC=CC=C1COC(NCCCCCC(OCCCCCCCCCCC)=O)=O