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Methyl N-[(1R,4R)-exo-bornan-2-yl]-(S)-alaninate [methyl (S)-2'-([1R,4R)-1,7,7,trimethylbicyclo[2.2.1]heptan-2-exo-ylamino)propanoate]
SpectraBase Compound ID D9bOIP3zkCQ
InChI InChI=1S/C14H25NO2/c1-9(12(16)17-5)15-11-8-10-6-7-14(11,4)13(10,2)3/h9-11,15H,6-8H2,1-5H3/t9-,10-,11-,14+/m0/s1
InChIKey FQFKZXPYRPPKCE-AYGWYOGXSA-N
Mol Weight 239.36 g/mol
Molecular Formula C14H25NO2
Exact Mass 239.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 164GC0J3T5z
Name Methyl N-[(1R,4R)-exo-bornan-2-yl]-(S)-alaninate [methyl (S)-2'-([1R,4R)-1,7,7,trimethylbicyclo[2.2.1]heptan-2-exo-ylamino)propanoate]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.188529047 u
Formula C14H25NO2
InChI InChI=1S/C14H25NO2/c1-9(12(16)17-5)15-11-8-10-6-7-14(11,4)13(10,2)3/h9-11,15H,6-8H2,1-5H3/t9-,10-,11-,14+/m0/s1
InChIKey FQFKZXPYRPPKCE-AYGWYOGXSA-N
Molecular Weight 239.359 g/mol
SMILES [C@@]12(C([C@@](CC2)(C[C@@]1(N[C@](C(=O)OC)(C)[H])[H])[H])(C)C)C