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Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isohexyl ester

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

Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isohexyl ester
SpectraBase Compound ID 95yOwauFIWS
InChI InChI=1S/C23H43NO4/c1-5-7-13-19(6-2)17-28-23(26)24-21(20-14-9-8-10-15-20)22(25)27-16-11-12-18(3)4/h18-21H,5-17H2,1-4H3,(H,24,26)
InChIKey NBCIMGGNSAMIEH-UHFFFAOYSA-N
Mol Weight 397.6 g/mol
Molecular Formula C23H43NO4
Exact Mass 397.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jt5CdT0LulM
Name Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.319208865 u
Formula C23H43NO4
InChI InChI=1S/C23H43NO4/c1-5-7-13-19(6-2)17-28-23(26)24-21(20-14-9-8-10-15-20)22(25)27-16-11-12-18(3)4/h18-21H,5-17H2,1-4H3,(H,24,26)
InChIKey NBCIMGGNSAMIEH-UHFFFAOYSA-N
Molecular Weight 397.600 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCC(CC)CCCC)C(OCCCC(C)C)=O