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dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tridecyl ester

View entire compound with spectra: 1 NMR

dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tridecyl ester
SpectraBase Compound ID CURN0DfElqN
InChI InChI=1S/C24H43NO4/c1-6-8-10-11-12-13-14-15-16-17-18-20-28-23(26)22(21(3)4)25(5)24(27)29-19-9-7-2/h2,21-22H,6,8-20H2,1,3-5H3
InChIKey UELGDAIDYYKXHT-UHFFFAOYSA-N
Mol Weight 409.6 g/mol
Molecular Formula C24H43NO4
Exact Mass 409.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BsHpezEwtI5
Name dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.319208865 u
Formula C24H43NO4
InChI InChI=1S/C24H43NO4/c1-6-8-10-11-12-13-14-15-16-17-18-20-28-23(26)22(21(3)4)25(5)24(27)29-19-9-7-2/h2,21-22H,6,8-20H2,1,3-5H3
InChIKey UELGDAIDYYKXHT-UHFFFAOYSA-N
Molecular Weight 409.611 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)N(C)C(=O)OCCC#C)(C)C