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L-Isoleucine, N-benzyloxycarbonyl-, undecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-benzyloxycarbonyl-, undecyl ester
SpectraBase Compound ID HtBtJvQRidm
InChI InChI=1S/C25H41NO4/c1-4-6-7-8-9-10-11-12-16-19-29-24(27)23(21(3)5-2)26-25(28)30-20-22-17-14-13-15-18-22/h13-15,17-18,21,23H,4-12,16,19-20H2,1-3H3,(H,26,28)
InChIKey XCRHGYFMQDIAIF-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JxfcDZUvz4A
Name L-Isoleucine, N-benzyloxycarbonyl-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-4-6-7-8-9-10-11-12-16-19-29-24(27)23(21(3)5-2)26-25(28)30-20-22-17-14-13-15-18-22/h13-15,17-18,21,23H,4-12,16,19-20H2,1-3H3,(H,26,28)
InChIKey XCRHGYFMQDIAIF-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES CCCCCCCCCCCOC(C(NC(OCC1=CC=CC=C1)=O)C(C)CC)=O