| SpectraBase Spectrum ID |
11PhrJjDrmw |
| 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 SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912671 |
![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]](/api/spectrum/11PhrJjDrmw/structure.png?h=300&w=458 "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]")
