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

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-benzyloxycarbonyl-, nonyl ester
SpectraBase Compound ID IJdcDn6ry7b
InChI InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-14-19-27-22(25)17-12-9-13-18-24-23(26)28-20-21-15-10-8-11-16-21/h8,10-11,15-16H,2-7,9,12-14,17-20H2,1H3,(H,24,26)
InChIKey BCAVHVQBSPUWOJ-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbWiD9rTsG0
Name 6-Aminocaproic acid, N-benzyloxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-14-19-27-22(25)17-12-9-13-18-24-23(26)28-20-21-15-10-8-11-16-21/h8,10-11,15-16H,2-7,9,12-14,17-20H2,1H3,(H,24,26)
InChIKey BCAVHVQBSPUWOJ-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES C1=CC=CC=C1COC(NCCCCCC(OCCCCCCCCC)=O)=O