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

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

Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, hexadecyl ester
SpectraBase Compound ID sGTrEKb7wA
InChI InChI=1S/C26H51NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-25(28)24(23(2)3)27(4)26(29)32-22-21-30-5/h23-24H,6-22H2,1-5H3
InChIKey NXYKPVADIREGMY-UHFFFAOYSA-N
Mol Weight 457.7 g/mol
Molecular Formula C26H51NO5
Exact Mass 457.376724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GU3oMpi64qw
Name Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.376723741 u
Formula C26H51NO5
InChI InChI=1S/C26H51NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-25(28)24(23(2)3)27(4)26(29)32-22-21-30-5/h23-24H,6-22H2,1-5H3
InChIKey NXYKPVADIREGMY-UHFFFAOYSA-N
Molecular Weight 457.696 g/mol
SMILES COCCOC(N(C(C(OCCCCCCCCCCCCCCCC)=O)C(C)C)C)=O