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1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester

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1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester
SpectraBase Compound ID LsNtlR6Iurf
InChI InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-14-19-31-25(29)27(17-12-13-18-27)28-26(30)32-24-20-22(4)15-16-23(24)21(2)3/h21-24H,5-20H2,1-4H3,(H,28,30)
InChIKey GNJKKYVXOLBUPV-UHFFFAOYSA-N
Mol Weight 451.7 g/mol
Molecular Formula C27H49NO4
Exact Mass 451.366159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmdgpJy4J79
Name 1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.366159058 u
Formula C27H49NO4
InChI InChI=1S/C27H49NO4/c1-5-6-7-8-9-10-11-14-19-31-25(29)27(17-12-13-18-27)28-26(30)32-24-20-22(4)15-16-23(24)21(2)3/h21-24H,5-20H2,1-4H3,(H,28,30)
InChIKey GNJKKYVXOLBUPV-UHFFFAOYSA-N
Molecular Weight 451.692 g/mol
SMILES C1CC(C(OCCCCCCCCCC)=O)(NC(=O)OC2C(C(C)C)CCC(C)C2)CC1