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L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, isohexyl ester
SpectraBase Compound ID D44Mj2x5HSe
InChI InChI=1S/C24H45NO4/c1-16(2)10-9-13-28-23(26)21(14-17(3)4)25(8)24(27)29-22-15-19(7)11-12-20(22)18(5)6/h16-22H,9-15H2,1-8H3
InChIKey HFEAFMSQYQSXKI-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C24H45NO4
Exact Mass 411.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNyFxP1aKrM
Name L-Leucine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.334858929 u
Formula C24H45NO4
InChI InChI=1S/C24H45NO4/c1-16(2)10-9-13-28-23(26)21(14-17(3)4)25(8)24(27)29-22-15-19(7)11-12-20(22)18(5)6/h16-22H,9-15H2,1-8H3
InChIKey HFEAFMSQYQSXKI-UHFFFAOYSA-N
Molecular Weight 411.627 g/mol
SMILES C(C)(C)CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(OCCCC(C)C)=O