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L-Leucine, N-(2-furoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-furoyl)-, dodecyl ester
SpectraBase Compound ID 13WzUjtNvVg
InChI InChI=1S/C23H39NO4/c1-4-5-6-7-8-9-10-11-12-13-16-28-23(26)20(18-19(2)3)24-22(25)21-15-14-17-27-21/h14-15,17,19-20H,4-13,16,18H2,1-3H3,(H,24,25)
InChIKey PSCPDGCYDRETPA-UHFFFAOYSA-N
Mol Weight 393.6 g/mol
Molecular Formula C23H39NO4
Exact Mass 393.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AIFXwntJVs
Name L-Leucine, N-(2-furoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.287908736 u
Formula C23H39NO4
InChI InChI=1S/C23H39NO4/c1-4-5-6-7-8-9-10-11-12-13-16-28-23(26)20(18-19(2)3)24-22(25)21-15-14-17-27-21/h14-15,17,19-20H,4-13,16,18H2,1-3H3,(H,24,25)
InChIKey PSCPDGCYDRETPA-UHFFFAOYSA-N
Molecular Weight 393.568 g/mol
SMILES CCCCCCCCCCCCOC(C(NC(C=1OC=CC1)=O)CC(C)C)=O