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dl-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester
SpectraBase Compound ID BrhmlCKJRFg
InChI InChI=1S/C25H45NO4/c1-15(2)20-11-10-18(6)22(14-20)29-24(27)19(7)26(8)25(28)30-23-13-17(5)9-12-21(23)16(3)4/h15-23H,9-14H2,1-8H3
InChIKey FJKOLRYQWXTQSX-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C25H45NO4
Exact Mass 423.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhvOlGodZwR
Name dl-Alanine, N-methyl-N-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.334858929 u
Formula C25H45NO4
InChI InChI=1S/C25H45NO4/c1-15(2)20-11-10-18(6)22(14-20)29-24(27)19(7)26(8)25(28)30-23-13-17(5)9-12-21(23)16(3)4/h15-23H,9-14H2,1-8H3
InChIKey FJKOLRYQWXTQSX-UHFFFAOYSA-N
Molecular Weight 423.638 g/mol
SMILES CC(N(C)C(=O)OC1C(C(C)C)CCC(C)C1)C(=O)OC1C(C)CCC(C(C)C)C1