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dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester
SpectraBase Compound ID A1cM2ve7D2d
InChI InChI=1S/C29H57NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-23-33-28(31)27(25(4)5)30(6)29(32)34-24-26(9-3)22-11-8-2/h25-27H,7-24H2,1-6H3
InChIKey RUTJAPWWXGBBDF-UHFFFAOYSA-N
Mol Weight 483.8 g/mol
Molecular Formula C29H57NO4
Exact Mass 483.428759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7R7gz0m95Zb
Name dl-Valine, N-methyl-N-(2-ethylhexyloxycarbonyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 483.428759315 u
Formula C29H57NO4
InChI InChI=1S/C29H57NO4/c1-7-10-12-13-14-15-16-17-18-19-20-21-23-33-28(31)27(25(4)5)30(6)29(32)34-24-26(9-3)22-11-8-2/h25-27H,7-24H2,1-6H3
InChIKey RUTJAPWWXGBBDF-UHFFFAOYSA-N
Molecular Weight 483.778 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)N(C)C(=O)OCC(CCCC)CC)(C)C