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1-Aminocyclopentanecarboxylic acid, N-(octyloxycarbonyl)-, octyl ester
SpectraBase Compound ID 740kz33d4DT
InChI InChI=1S/C23H43NO4/c1-3-5-7-9-11-15-19-27-21(25)23(17-13-14-18-23)24-22(26)28-20-16-12-10-8-6-4-2/h3-20H2,1-2H3,(H,24,26)
InChIKey KMMNFVQQUNOOGH-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 9lfqdDELOXI
Name 1-Aminocyclopentanecarboxylic acid, N-(octyloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 397.319208865 u
Formula C23H43NO4
InChI InChI=1S/C23H43NO4/c1-3-5-7-9-11-15-19-27-21(25)23(17-13-14-18-23)24-22(26)28-20-16-12-10-8-6-4-2/h3-20H2,1-2H3,(H,24,26)
InChIKey KMMNFVQQUNOOGH-UHFFFAOYSA-N
Molecular Weight 397.600 g/mol
SMILES C1CC(C(OCCCCCCCC)=O)(NC(=O)OCCCCCCCC)CC1