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

View entire compound with spectra: 1 NMR

2-Aminocaprylic acid, N-benzyloxycarbonyl-, ethyl ester
SpectraBase Compound ID DtnLEPdxKFS
InChI InChI=1S/C18H27NO4/c1-3-5-6-10-13-16(17(20)22-4-2)19-18(21)23-14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,21)
InChIKey IFUGWIMJRDCSQR-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 FR4hKoWoPrp
Name 2-Aminocaprylic acid, N-benzyloxycarbonyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-3-5-6-10-13-16(17(20)22-4-2)19-18(21)23-14-15-11-8-7-9-12-15/h7-9,11-12,16H,3-6,10,13-14H2,1-2H3,(H,19,21)
InChIKey IFUGWIMJRDCSQR-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES C1=C(C=CC=C1)COC(NC(C(OCC)=O)CCCCCC)=O