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dl-Norleucyl-dl-norleucine, N-propargyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID C86qlLNO391
InChI InChI=1S/C22H38N2O5/c1-6-9-13-18(24-22(27)29-15-8-3)20(25)23-19(14-10-7-2)21(26)28-16-11-12-17(4)5/h3,17-19H,6-7,9-16H2,1-2,4-5H3,(H,23,25)(H,24,27)
InChIKey YNLVZLXLLIREAF-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C22H38N2O5
Exact Mass 410.278072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhYCHGNOEbS
Name dl-Norleucyl-dl-norleucine, N-propargyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.278072327 u
Formula C22H38N2O5
InChI InChI=1S/C22H38N2O5/c1-6-9-13-18(24-22(27)29-15-8-3)20(25)23-19(14-10-7-2)21(26)28-16-11-12-17(4)5/h3,17-19H,6-7,9-16H2,1-2,4-5H3,(H,23,25)(H,24,27)
InChIKey YNLVZLXLLIREAF-UHFFFAOYSA-N
Molecular Weight 410.555 g/mol
SMILES CC(C)CCCOC(C(NC(C(NC(OCC#C)=O)CCCC)=O)CCCC)=O