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Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, isohexyl ester

View entire compound with spectra: 1 NMR

Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, isohexyl ester
SpectraBase Compound ID FJH0PRJxqy2
InChI InChI=1S/C23H43NO4/c1-4-5-6-7-8-12-17-28-23(26)24-21(20-15-10-9-11-16-20)22(25)27-18-13-14-19(2)3/h19-21H,4-18H2,1-3H3,(H,24,26)
InChIKey IBLRJXATZAXXGK-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 L8YnYVjcI5K
Name Glycine, 2-cyclohexyl-N-octyloxycarbonyl-, isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.319208865 u
Formula C23H43NO4
InChI InChI=1S/C23H43NO4/c1-4-5-6-7-8-12-17-28-23(26)24-21(20-15-10-9-11-16-20)22(25)27-18-13-14-19(2)3/h19-21H,4-18H2,1-3H3,(H,24,26)
InChIKey IBLRJXATZAXXGK-UHFFFAOYSA-N
Molecular Weight 397.600 g/mol
SMILES C1CC(CCC1)C(NC(=O)OCCCCCCCC)C(OCCCC(C)C)=O