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L-Valine, N-(2-furoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-(2-furoyl)-, heptadecyl ester
SpectraBase Compound ID EhNiuqTIm7J
InChI InChI=1S/C27H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-27(30)25(23(2)3)28-26(29)24-20-19-22-31-24/h19-20,22-23,25H,4-18,21H2,1-3H3,(H,28,29)
InChIKey POBCWABEYHYDDY-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H47NO4
Exact Mass 449.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 84Y0oP9vHgC
Name L-Valine, N-(2-furoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 449.350508993 u
Formula C27H47NO4
InChI InChI=1S/C27H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-27(30)25(23(2)3)28-26(29)24-20-19-22-31-24/h19-20,22-23,25H,4-18,21H2,1-3H3,(H,28,29)
InChIKey POBCWABEYHYDDY-UHFFFAOYSA-N
Molecular Weight 449.676 g/mol
SMILES C1=COC(=C1)C(NC(C(C)C)C(=O)OCCCCCCCCCCCCCCCCC)=O