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L-Isoleucine, N-benzyloxycarbonyl-, decyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-benzyloxycarbonyl-, decyl ester
SpectraBase Compound ID 2QGfBs7ws4M
InChI InChI=1S/C24H39NO4/c1-4-6-7-8-9-10-11-15-18-28-23(26)22(20(3)5-2)25-24(27)29-19-21-16-13-12-14-17-21/h12-14,16-17,20,22H,4-11,15,18-19H2,1-3H3,(H,25,27)
InChIKey VTXVLJXOQIYUAW-UHFFFAOYSA-N
Mol Weight 405.6 g/mol
Molecular Formula C24H39NO4
Exact Mass 405.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K01I3sKAGuk
Name L-Isoleucine, N-benzyloxycarbonyl-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.287908736 u
Formula C24H39NO4
InChI InChI=1S/C24H39NO4/c1-4-6-7-8-9-10-11-15-18-28-23(26)22(20(3)5-2)25-24(27)29-19-21-16-13-12-14-17-21/h12-14,16-17,20,22H,4-11,15,18-19H2,1-3H3,(H,25,27)
InChIKey VTXVLJXOQIYUAW-UHFFFAOYSA-N
Molecular Weight 405.579 g/mol
SMILES CCCCCCCCCCOC(C(NC(OCC1=CC=CC=C1)=O)C(C)CC)=O