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

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1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester
SpectraBase Compound ID xKXy0AbA5W
InChI InChI=1S/C27H47NO4/c1-17(2)21-11-10-20(6)23(16-21)31-25(29)27(13-7-8-14-27)28-26(30)32-24-15-19(5)9-12-22(24)18(3)4/h17-24H,7-16H2,1-6H3,(H,28,30)
InChIKey PZCGWBLWQBWGOW-UHFFFAOYSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H47NO4
Exact Mass 449.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7YaKMmxXH7
Name 1-Aminocyclopentanecarboxylic acid, N-((1R)-(-)-menthyloxycarbonyl)-, (1R)-(-)-menthyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 449.350508993 u
Formula C27H47NO4
InChI InChI=1S/C27H47NO4/c1-17(2)21-11-10-20(6)23(16-21)31-25(29)27(13-7-8-14-27)28-26(30)32-24-15-19(5)9-12-22(24)18(3)4/h17-24H,7-16H2,1-6H3,(H,28,30)
InChIKey PZCGWBLWQBWGOW-UHFFFAOYSA-N
Molecular Weight 449.676 g/mol
SMILES C1CC(C(OC2C(C)CCC(C(C)C)C2)=O)(NC(=O)OC2C(C(C)C)CCC(C)C2)CC1