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L-Isoleucine, N-propargyloxycarbonyl-, nonyl ester
SpectraBase Compound ID HN4PMFqDNOb
InChI InChI=1S/C19H33NO4/c1-5-8-9-10-11-12-13-15-23-18(21)17(16(4)7-3)20-19(22)24-14-6-2/h2,16-17H,5,7-15H2,1,3-4H3,(H,20,22)
InChIKey YLUAQUICMLMRDK-UHFFFAOYSA-N
Mol Weight 339.5 g/mol
Molecular Formula C19H33NO4
Exact Mass 339.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62Tf1IUVG9Q
Name L-Isoleucine, N-propargyloxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 339.240958543 u
Formula C19H33NO4
InChI InChI=1S/C19H33NO4/c1-5-8-9-10-11-12-13-15-23-18(21)17(16(4)7-3)20-19(22)24-14-6-2/h2,16-17H,5,7-15H2,1,3-4H3,(H,20,22)
InChIKey YLUAQUICMLMRDK-UHFFFAOYSA-N
Molecular Weight 339.476 g/mol
SMILES C(C(NC(OCC#C)=O)C(C)CC)(OCCCCCCCCC)=O