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dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester

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dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester
SpectraBase Compound ID 9rM69Ph8tC
InChI InChI=1S/C23H45NO4/c1-7-10-12-13-14-15-17-27-22(25)21(19(4)5)24(6)23(26)28-18-20(9-3)16-11-8-2/h19-21H,7-18H2,1-6H3
InChIKey XESGSZHBNHJFEU-UHFFFAOYSA-N
Mol Weight 399.6 g/mol
Molecular Formula C23H45NO4
Exact Mass 399.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6epRA9EWsa
Name dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.334858929 u
Formula C23H45NO4
InChI InChI=1S/C23H45NO4/c1-7-10-12-13-14-15-17-27-22(25)21(19(4)5)24(6)23(26)28-18-20(9-3)16-11-8-2/h19-21H,7-18H2,1-6H3
InChIKey XESGSZHBNHJFEU-UHFFFAOYSA-N
Molecular Weight 399.616 g/mol
SMILES C(C(C(OCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C