| SpectraBase Spectrum ID |
2YYMlDRcWto |
| Name |
(1S,5R,7S)-1,5,7-Trimethyl-2-oxo-3-azabicyclo[3.3,1]nonan-7-carboxylic acid menthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
363.277344052 u |
| Formula |
C22H37NO3 |
| InChI |
InChI=1S/C22H37NO3/c1-14(2)16-8-7-15(3)9-17(16)26-19(25)22(6)11-20(4)10-21(5,12-22)18(24)23-13-20/h14-17H,7-13H2,1-6H3,(H,23,24)/t15-,16+,17-,20-,21+,22+/m1/s1 |
| InChIKey |
YMMWYWYMYHFEGA-JUOVRFQDSA-N |
| Molecular Weight |
363.542 g/mol |
| SMILES |
[C@]12(C(NC[C@](C2)(C[C@@](C1)(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9375 |
![(1S,5R,7S)-1,5,7-Trimethyl-2-oxo-3-azabicyclo[3.3,1]nonan-7-carboxylic acid menthyl ester](/api/spectrum/2YYMlDRcWto/structure.png?h=300&w=458 "(1S,5R,7S)-1,5,7-Trimethyl-2-oxo-3-azabicyclo[3.3,1]nonan-7-carboxylic acid menthyl ester")
