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L-Norvaline, N-octyloxycarbonyl-, octyl ester

View entire compound with spectra: 1 NMR

L-Norvaline, N-octyloxycarbonyl-, octyl ester
SpectraBase Compound ID F9eren7w7o8
InChI InChI=1S/C22H43NO4/c1-4-7-9-11-13-15-18-26-21(24)20(17-6-3)23-22(25)27-19-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKey WYLQEZLKCDZQJM-FQEVSTJZSA-N
Mol Weight 385.6 g/mol
Molecular Formula C22H43NO4
Exact Mass 385.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1q0gS3wUTKK
Name L-Norvaline, N-octyloxycarbonyl-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.319208865 u
Formula C22H43NO4
InChI InChI=1S/C22H43NO4/c1-4-7-9-11-13-15-18-26-21(24)20(17-6-3)23-22(25)27-19-16-14-12-10-8-5-2/h20H,4-19H2,1-3H3,(H,23,25)/t20-/m0/s1
InChIKey WYLQEZLKCDZQJM-FQEVSTJZSA-N
Molecular Weight 385.589 g/mol
SMILES CCC[C@@](C(OCCCCCCCC)=O)(NC(=O)OCCCCCCCC)[H]