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Valine, N-methyl-N-butoxycarbonyl-, pentadecyl ester

View entire compound with spectra: 1 NMR

Valine, N-methyl-N-butoxycarbonyl-, pentadecyl ester
SpectraBase Compound ID CPztFyKksvg
InChI InChI=1S/C26H51NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27(5)26(29)31-21-9-7-2/h23-24H,6-22H2,1-5H3
InChIKey GGQVPMMFMRXNGU-UHFFFAOYSA-N
Mol Weight 441.7 g/mol
Molecular Formula C26H51NO4
Exact Mass 441.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7uRykqK2fJ
Name Valine, N-methyl-N-butoxycarbonyl-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-22-30-25(28)24(23(3)4)27(5)26(29)31-21-9-7-2/h23-24H,6-22H2,1-5H3
InChIKey GGQVPMMFMRXNGU-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CCCCOC(N(C(C(OCCCCCCCCCCCCCCC)=O)C(C)C)C)=O