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

View entire compound with spectra: 1 NMR

6-Aminocaproic acid, N-benzyloxycarbonyl-, decyl ester
SpectraBase Compound ID IhLzdSHYji4
InChI InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-15-20-28-23(26)18-13-10-14-19-25-24(27)29-21-22-16-11-9-12-17-22/h9,11-12,16-17H,2-8,10,13-15,18-21H2,1H3,(H,25,27)
InChIKey SRJDTTAQBIPFCB-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D4cqmnABDn6
Name 6-Aminocaproic acid, N-benzyloxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-2-3-4-5-6-7-8-15-20-28-23(26)18-13-10-14-19-25-24(27)29-21-22-16-11-9-12-17-22/h9,11-12,16-17H,2-8,10,13-15,18-21H2,1H3,(H,25,27)
InChIKey SRJDTTAQBIPFCB-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES C1=CC=CC=C1COC(NCCCCCC(OCCCCCCCCCC)=O)=O