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L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester

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L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester
SpectraBase Compound ID BPPROpQ632Z
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-19-31-26(29)24(16-7-2)28-27(30)32-25-20-22(5)17-18-23(25)21(3)4/h21-25H,6-20H2,1-5H3,(H,28,30)
InChIKey WJWAZCKIUWOFRG-UHFFFAOYSA-N
Mol Weight 453.7 g/mol
Molecular Formula C27H51NO4
Exact Mass 453.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3o46BgZfBLG
Name L-Norvaline, N-((1R)-(-)-menthyloxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 453.381809122 u
Formula C27H51NO4
InChI InChI=1S/C27H51NO4/c1-6-8-9-10-11-12-13-14-15-19-31-26(29)24(16-7-2)28-27(30)32-25-20-22(5)17-18-23(25)21(3)4/h21-25H,6-20H2,1-5H3,(H,28,30)
InChIKey WJWAZCKIUWOFRG-UHFFFAOYSA-N
Molecular Weight 453.708 g/mol
SMILES CCCC(C(OCCCCCCCCCCC)=O)NC(=O)OC1C(CCC(C1)C)C(C)C