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L-Isoleucine, N-benzyloxycarbonyl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-benzyloxycarbonyl-, dodecyl ester
SpectraBase Compound ID F5wcetZmP1A
InChI InChI=1S/C26H43NO4/c1-4-6-7-8-9-10-11-12-13-17-20-30-25(28)24(22(3)5-2)27-26(29)31-21-23-18-15-14-16-19-23/h14-16,18-19,22,24H,4-13,17,20-21H2,1-3H3,(H,27,29)
InChIKey OPGFTROUOVDVFB-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Efkh42b0JS
Name L-Isoleucine, N-benzyloxycarbonyl-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-4-6-7-8-9-10-11-12-13-17-20-30-25(28)24(22(3)5-2)27-26(29)31-21-23-18-15-14-16-19-23/h14-16,18-19,22,24H,4-13,17,20-21H2,1-3H3,(H,27,29)
InChIKey OPGFTROUOVDVFB-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(OCC1=CC=CC=C1)=O)C(C)CC)=O