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Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, heptadecyl ester

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

Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, heptadecyl ester
SpectraBase Compound ID 6xw2cef0uyR
InChI InChI=1S/C27H53NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-26(29)25(24(2)3)28(4)27(30)33-23-22-31-5/h24-25H,6-23H2,1-5H3
InChIKey WYPRBDGDLVEQBI-UHFFFAOYSA-N
Mol Weight 471.7 g/mol
Molecular Formula C27H53NO5
Exact Mass 471.392374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWFH25uF58Y
Name Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.392373806 u
Formula C27H53NO5
InChI InChI=1S/C27H53NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-26(29)25(24(2)3)28(4)27(30)33-23-22-31-5/h24-25H,6-23H2,1-5H3
InChIKey WYPRBDGDLVEQBI-UHFFFAOYSA-N
Molecular Weight 471.723 g/mol
SMILES COCCOC(N(C(C(OCCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O