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

View entire compound with spectra: 1 NMR

dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, undecyl ester
SpectraBase Compound ID KKpxEF9RS81
InChI InChI=1S/C22H39NO4/c1-6-8-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23(5)22(25)27-17-9-7-2/h2,19-20H,6,8-18H2,1,3-5H3
InChIKey MPPMKPJAYNBXGX-UHFFFAOYSA-N
Mol Weight 381.6 g/mol
Molecular Formula C22H39NO4
Exact Mass 381.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DAncAUnfRgD
Name dl-Valine, N-methyl-N-(but-3-yn-1-yloxycarbonyl)-, undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.287908736 u
Formula C22H39NO4
InChI InChI=1S/C22H39NO4/c1-6-8-10-11-12-13-14-15-16-18-26-21(24)20(19(3)4)23(5)22(25)27-17-9-7-2/h2,19-20H,6,8-18H2,1,3-5H3
InChIKey MPPMKPJAYNBXGX-UHFFFAOYSA-N
Molecular Weight 381.557 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)N(C)C(=O)OCCC#C)(C)C