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1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester
SpectraBase Compound ID Ap7quPou7ll
InChI InChI=1S/C25H45NO4/c1-5-6-7-8-9-12-17-29-23(27)25(15-10-11-16-25)26-24(28)30-22-18-20(4)13-14-21(22)19(2)3/h19-22H,5-18H2,1-4H3,(H,26,28)
InChIKey VWCRJBRITDUTRT-UHFFFAOYSA-N
Mol Weight 423.6 g/mol
Molecular Formula C25H45NO4
Exact Mass 423.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EILFRJbmHBd
Name 1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.334858929 u
Formula C25H45NO4
InChI InChI=1S/C25H45NO4/c1-5-6-7-8-9-12-17-29-23(27)25(15-10-11-16-25)26-24(28)30-22-18-20(4)13-14-21(22)19(2)3/h19-22H,5-18H2,1-4H3,(H,26,28)
InChIKey VWCRJBRITDUTRT-UHFFFAOYSA-N
Molecular Weight 423.638 g/mol
SMILES C1CC(C(OCCCCCCCC)=O)(NC(=O)OC2C(C(C)C)CCC(C)C2)CC1