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L-Isoleucine, N-benzyloxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Isoleucine, N-benzyloxycarbonyl-, octyl ester
SpectraBase Compound ID HpbSSb7ENcV
InChI InChI=1S/C22H35NO4/c1-4-6-7-8-9-13-16-26-21(24)20(18(3)5-2)23-22(25)27-17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,4-9,13,16-17H2,1-3H3,(H,23,25)
InChIKey BLHNIJREHKUOAJ-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4p6YTc7AzN6
Name L-Isoleucine, N-benzyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-4-6-7-8-9-13-16-26-21(24)20(18(3)5-2)23-22(25)27-17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,4-9,13,16-17H2,1-3H3,(H,23,25)
InChIKey BLHNIJREHKUOAJ-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C(NC(OCC1=CC=CC=C1)=O)(C(OCCCCCCCC)=O)C(C)CC