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2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, nonyl ester
SpectraBase Compound ID 5VumJEmhwVb
InChI InChI=1S/C23H43NO4/c1-5-9-11-12-13-14-15-18-27-22(25)21(16-7-3)24-23(26)28-19-20(8-4)17-10-6-2/h7,20-21H,3,5-6,8-19H2,1-2,4H3,(H,24,26)
InChIKey XBNNZAYALQIZFK-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 DndRXDaMFND
Name 2-Aminopent-4-enoic acid, N-(2-ethylhexyloxycarbonyl)-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.319208865 u
Formula C23H43NO4
InChI InChI=1S/C23H43NO4/c1-5-9-11-12-13-14-15-18-27-22(25)21(16-7-3)24-23(26)28-19-20(8-4)17-10-6-2/h7,20-21H,3,5-6,8-19H2,1-2,4H3,(H,24,26)
InChIKey XBNNZAYALQIZFK-UHFFFAOYSA-N
Molecular Weight 397.600 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC)C=C