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2-Aminocaprylic acid, N-benzyloxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

2-Aminocaprylic acid, N-benzyloxycarbonyl-, octyl ester
SpectraBase Compound ID LHLCOSEKYOI
InChI InChI=1S/C24H39NO4/c1-3-5-7-9-10-15-19-28-23(26)22(18-14-8-6-4-2)25-24(27)29-20-21-16-12-11-13-17-21/h11-13,16-17,22H,3-10,14-15,18-20H2,1-2H3,(H,25,27)
InChIKey SQTSOLSFCKAXDH-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 IxYplJMFURb
Name 2-Aminocaprylic acid, N-benzyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-3-5-7-9-10-15-19-28-23(26)22(18-14-8-6-4-2)25-24(27)29-20-21-16-12-11-13-17-21/h11-13,16-17,22H,3-10,14-15,18-20H2,1-2H3,(H,25,27)
InChIKey SQTSOLSFCKAXDH-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES C1=CC=CC(=C1)COC(NC(C(OCCCCCCCC)=O)CCCCCC)=O