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L-Norvaline, N-(2-methoxyethoxycarbonyl)-, isohexyl ester
SpectraBase Compound ID INvxDUFmEEa
InChI InChI=1S/C15H29NO5/c1-5-7-13(16-15(18)21-11-10-19-4)14(17)20-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,18)
InChIKey VYJYSDCNIDMRHU-UHFFFAOYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C15H29NO5
Exact Mass 303.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4LJZKJpqjzN
Name L-Norvaline, N-(2-methoxyethoxycarbonyl)-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 303.204573033 u
Formula C15H29NO5
InChI InChI=1S/C15H29NO5/c1-5-7-13(16-15(18)21-11-10-19-4)14(17)20-9-6-8-12(2)3/h12-13H,5-11H2,1-4H3,(H,16,18)
InChIKey VYJYSDCNIDMRHU-UHFFFAOYSA-N
SMILES COCCOC(NC(C(OCCCC(C)C)=O)CCC)=O