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L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, octadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, octadecyl ester
SpectraBase Compound ID GnnhrOrrTsp
InChI InChI=1S/C28H55NO5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-27(30)26(25(3)6-2)29-28(31)34-24-23-32-4/h25-26H,5-24H2,1-4H3,(H,29,31)
InChIKey UOXJKSIFIZEXTJ-UHFFFAOYSA-N
Mol Weight 485.8 g/mol
Molecular Formula C28H55NO5
Exact Mass 485.408024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LFG0BziKWi
Name L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.408023870 u
Formula C28H55NO5
InChI InChI=1S/C28H55NO5/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-27(30)26(25(3)6-2)29-28(31)34-24-23-32-4/h25-26H,5-24H2,1-4H3,(H,29,31)
InChIKey UOXJKSIFIZEXTJ-UHFFFAOYSA-N
Molecular Weight 485.750 g/mol
SMILES C(COC(C(NC(OCCOC)=O)C(C)CC)=O)CCCCCCCCCCCCCCCC