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

View entire compound with spectra: 1 NMR

2-Aminocaprylic acid, N-benzyloxycarbonyl-, propyl ester
SpectraBase Compound ID D9ht0B3NLVx
InChI InChI=1S/C19H29NO4/c1-3-5-6-10-13-17(18(21)23-14-4-2)20-19(22)24-15-16-11-8-7-9-12-16/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H,20,22)
InChIKey FGOZPVZASSDHBN-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 34UyFQdqsEx
Name 2-Aminocaprylic acid, N-benzyloxycarbonyl-, propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-3-5-6-10-13-17(18(21)23-14-4-2)20-19(22)24-15-16-11-8-7-9-12-16/h7-9,11-12,17H,3-6,10,13-15H2,1-2H3,(H,20,22)
InChIKey FGOZPVZASSDHBN-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES C1=CC=CC(=C1)COC(NC(C(OCCC)=O)CCCCCC)=O