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

View entire compound with spectra: 1 NMR

L-Leucine, N-(2-furoyl)-, undecyl ester
SpectraBase Compound ID 5aiLPkmvTk7
InChI InChI=1S/C22H37NO4/c1-4-5-6-7-8-9-10-11-12-15-27-22(25)19(17-18(2)3)23-21(24)20-14-13-16-26-20/h13-14,16,18-19H,4-12,15,17H2,1-3H3,(H,23,24)
InChIKey CPBYLTIDEDLTJV-UHFFFAOYSA-N
Mol Weight 379.5 g/mol
Molecular Formula C22H37NO4
Exact Mass 379.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKhyLhvIRVE
Name L-Leucine, N-(2-furoyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.272258671 u
Formula C22H37NO4
InChI InChI=1S/C22H37NO4/c1-4-5-6-7-8-9-10-11-12-15-27-22(25)19(17-18(2)3)23-21(24)20-14-13-16-26-20/h13-14,16,18-19H,4-12,15,17H2,1-3H3,(H,23,24)
InChIKey CPBYLTIDEDLTJV-UHFFFAOYSA-N
Molecular Weight 379.541 g/mol
SMILES CCCCCCCCCCCOC(C(NC(C=1OC=CC1)=O)CC(C)C)=O