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L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, tridecyl ester

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

L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, tridecyl ester
SpectraBase Compound ID 5Qm6c7q78rw
InChI InChI=1S/C27H53NO4/c1-5-9-11-12-13-14-15-16-17-18-19-22-31-26(29)25(20-7-3)28-27(30)32-23-24(8-4)21-10-6-2/h24-25H,5-23H2,1-4H3,(H,28,30)
InChIKey HWYSTLQBOUCGQA-UHFFFAOYSA-N
Mol Weight 455.7 g/mol
Molecular Formula C27H53NO4
Exact Mass 455.397459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9E7k9bghpyO
Name L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 455.397459187 u
Formula C27H53NO4
InChI InChI=1S/C27H53NO4/c1-5-9-11-12-13-14-15-16-17-18-19-22-31-26(29)25(20-7-3)28-27(30)32-23-24(8-4)21-10-6-2/h24-25H,5-23H2,1-4H3,(H,28,30)
InChIKey HWYSTLQBOUCGQA-UHFFFAOYSA-N
Molecular Weight 455.724 g/mol
SMILES CCCC(C(OCCCCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC