| SpectraBase Spectrum ID |
4vtOyZ0sA4P |
| Name |
N-boc Ethyl (1R,3R,5S)-3-amino-6-oxabicyclo[3.1.0]hexane-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.141972775 u |
| Formula |
C13H21NO5 |
| InChI |
InChI=1S/C13H21NO5/c1-5-17-10(15)13(6-8-9(7-13)18-8)14-11(16)19-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,16)/t8-,9+,13+ |
| InChIKey |
RJOKDPCWAVIFKW-WOFXILAISA-N |
| SMILES |
[C@]1(C[C@@]2(O[C@@]2(C1)[H])[H])(NC(OC(C)(C)C)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959805 |
![N-boc Ethyl (1R,3R,5S)-3-amino-6-oxabicyclo[3.1.0]hexane-3-carboxylate](/api/spectrum/4vtOyZ0sA4P/structure.png?h=300&w=458 "N-boc Ethyl (1R,3R,5S)-3-amino-6-oxabicyclo[3.1.0]hexane-3-carboxylate")
