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L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester
SpectraBase Compound ID 4tNFjQlPoNh
InChI InChI=1S/C24H45NO4/c1-6-8-9-10-11-12-16-28-23(26)21(13-7-2)25-24(27)29-22-17-19(5)14-15-20(22)18(3)4/h18-22H,6-17H2,1-5H3,(H,25,27)
InChIKey CNQLEMMNDDSODI-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 7XAerxbRrvp
Name L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 411.334858929 u
Formula C24H45NO4
InChI InChI=1S/C24H45NO4/c1-6-8-9-10-11-12-16-28-23(26)21(13-7-2)25-24(27)29-22-17-19(5)14-15-20(22)18(3)4/h18-22H,6-17H2,1-5H3,(H,25,27)
InChIKey CNQLEMMNDDSODI-UHFFFAOYSA-N
Molecular Weight 411.627 g/mol
SMILES CCCC(C(OCCCCCCCC)=O)NC(=O)OC1C(CCC(C1)C)C(C)C