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

View entire compound with spectra: 1 NMR

2-Aminocaprylic acid, N-benzyloxycarbonyl-, pentyl ester
SpectraBase Compound ID KAmM6BiBLx1
InChI InChI=1S/C21H33NO4/c1-3-5-7-11-15-19(20(23)25-16-12-6-4-2)22-21(24)26-17-18-13-9-8-10-14-18/h8-10,13-14,19H,3-7,11-12,15-17H2,1-2H3,(H,22,24)
InChIKey JDVJWGKOWNAIDD-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C21H33NO4
Exact Mass 363.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8L7UDiPwtxw
Name 2-Aminocaprylic acid, N-benzyloxycarbonyl-, pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-3-5-7-11-15-19(20(23)25-16-12-6-4-2)22-21(24)26-17-18-13-9-8-10-14-18/h8-10,13-14,19H,3-7,11-12,15-17H2,1-2H3,(H,22,24)
InChIKey JDVJWGKOWNAIDD-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES C1=CC=CC(=C1)COC(NC(C(OCCCCC)=O)CCCCCC)=O