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dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, heptyl ester

View entire compound with spectra: 1 NMR

dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, heptyl ester
SpectraBase Compound ID HjuU9GcxUwe
InChI InChI=1S/C24H42N2O5/c1-9-11-13-14-15-17-30-23(28)21(19(5)6)25(7)22(27)20(18(3)4)26(8)24(29)31-16-12-10-2/h2,18-21H,9,11-17H2,1,3-8H3
InChIKey PLSTYUFEDIDQAL-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C24H42N2O5
Exact Mass 438.309372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3H4RivMPxEv
Name dl-Valyl-dl-valine, N,N'-dimethyl-N'-(but-3-yn-1-yloxycarbonyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.309372455 u
Formula C24H42N2O5
InChI InChI=1S/C24H42N2O5/c1-9-11-13-14-15-17-30-23(28)21(19(5)6)25(7)22(27)20(18(3)4)26(8)24(29)31-16-12-10-2/h2,18-21H,9,11-17H2,1,3-8H3
InChIKey PLSTYUFEDIDQAL-UHFFFAOYSA-N
Molecular Weight 438.609 g/mol
SMILES C(N(C(C(C)C)C(OCCCCCCC)=O)C)(C(N(C(OCCC#C)=O)C)C(C)C)=O