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

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-benzyloxycarbonyl-, butyl ester
SpectraBase Compound ID 2B7T6bZBrZr
InChI InChI=1S/C18H27NO4/c1-2-3-14-22-17(20)12-8-5-9-13-19-18(21)23-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3,(H,19,21)
InChIKey HGCGUBRYBZYYIK-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4lUEitkC8Qt
Name 6-Aminocaproic acid, N-benzyloxycarbonyl-, butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-2-3-14-22-17(20)12-8-5-9-13-19-18(21)23-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3,(H,19,21)
InChIKey HGCGUBRYBZYYIK-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C1=CC=CC=C1COC(NCCCCCC(OCCCC)=O)=O