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dl-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, decyl ester
SpectraBase Compound ID KG76zoxt6bx
InChI InChI=1S/C21H39NO4/c1-6-8-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22(5)21(24)26-16-9-7-2/h7,18-19H,2,6,8-17H2,1,3-5H3
InChIKey PNIZDWDVLICXIU-UHFFFAOYSA-N
Mol Weight 369.5 g/mol
Molecular Formula C21H39NO4
Exact Mass 369.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cPvS8WGP5B
Name dl-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.287908736 u
Formula C21H39NO4
InChI InChI=1S/C21H39NO4/c1-6-8-10-11-12-13-14-15-17-25-20(23)19(18(3)4)22(5)21(24)26-16-9-7-2/h7,18-19H,2,6,8-17H2,1,3-5H3
InChIKey PNIZDWDVLICXIU-UHFFFAOYSA-N
Molecular Weight 369.546 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)N(C)C(=O)OCCC=C)(C)C