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dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester
SpectraBase Compound ID LINjZk2QdHX
InChI InChI=1S/C25H49NO4/c1-7-10-12-13-14-15-16-17-19-29-24(27)23(21(4)5)26(6)25(28)30-20-22(9-3)18-11-8-2/h21-23H,7-20H2,1-6H3
InChIKey QYSJHHSLJUGIEJ-UHFFFAOYSA-N
Mol Weight 427.7 g/mol
Molecular Formula C25H49NO4
Exact Mass 427.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgpCmIpRnwo
Name dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 427.366159058 u
Formula C25H49NO4
InChI InChI=1S/C25H49NO4/c1-7-10-12-13-14-15-16-17-19-29-24(27)23(21(4)5)26(6)25(28)30-20-22(9-3)18-11-8-2/h21-23H,7-20H2,1-6H3
InChIKey QYSJHHSLJUGIEJ-UHFFFAOYSA-N
Molecular Weight 427.670 g/mol
SMILES C(C(C(OCCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C