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L-Valine, N-isobutoxycarbonyl-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-isobutoxycarbonyl-, hexadecyl ester
SpectraBase Compound ID InQLUw4nyQI
InChI InChI=1S/C26H51NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-25(28)24(23(4)5)27-26(29)31-21-22(2)3/h22-24H,6-21H2,1-5H3,(H,27,29)
InChIKey NMWRBFSIFWWECZ-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 9hmDA035mba
Name L-Valine, N-isobutoxycarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 441.381809122 u
Formula C26H51NO4
InChI InChI=1S/C26H51NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30-25(28)24(23(4)5)27-26(29)31-21-22(2)3/h22-24H,6-21H2,1-5H3,(H,27,29)
InChIKey NMWRBFSIFWWECZ-UHFFFAOYSA-N
Molecular Weight 441.697 g/mol
SMILES CC(C)COC(NC(C(OCCCCCCCCCCCCCCCC)=O)C(C)C)=O