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L-Leucine, N-cyclopropylcarbonyl-, hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Leucine, N-cyclopropylcarbonyl-, hexadecyl ester
SpectraBase Compound ID qugAcfjxLb
InChI InChI=1S/C26H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-26(29)24(21-22(2)3)27-25(28)23-18-19-23/h22-24H,4-21H2,1-3H3,(H,27,28)
InChIKey LZBWPYUZOKAADA-UHFFFAOYSA-N
Mol Weight 423.7 g/mol
Molecular Formula C26H49NO3
Exact Mass 423.371244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AB4ehwbNzB7
Name L-Leucine, N-cyclopropylcarbonyl-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.371244439 u
Formula C26H49NO3
InChI InChI=1S/C26H49NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-26(29)24(21-22(2)3)27-25(28)23-18-19-23/h22-24H,4-21H2,1-3H3,(H,27,28)
InChIKey LZBWPYUZOKAADA-UHFFFAOYSA-N
Molecular Weight 423.682 g/mol
SMILES C(NC(C(OCCCCCCCCCCCCCCCC)=O)CC(C)C)(=O)C1CC1