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L-Isoleucine, N-propoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-propoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID 7ysWpCxST0H
InChI InChI=1S/C25H49NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(4)7-3)26-25(28)30-20-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey NOYUWBUUGRVMSW-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpUCA6sDis6
Name L-Isoleucine, N-propoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(4)7-3)26-25(28)30-20-6-2/h22-23H,5-21H2,1-4H3,(H,26,28)
InChIKey NOYUWBUUGRVMSW-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES CCCOC(NC(C(CC)C)C(OCCCCCCCCCCCCCCC)=O)=O