| SpectraBase Spectrum ID |
CA4UxhSZ0hZ |
| Name |
7-(Tert-butoxycarbonyl)-2-endo-carbethoxy-7-azabicyclo[2.2.1]heptane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
269.162708221 u |
| Formula |
C14H23NO4 |
| InChI |
InChI=1S/C14H23NO4/c1-5-18-12(16)10-8-9-6-7-11(10)15(9)13(17)19-14(2,3)4/h9-11H,5-8H2,1-4H3/t9-,10?,11+/m1/s1 |
| InChIKey |
NESNGXUQCAJWNN-FBKFWFMHSA-N |
| Molecular Weight |
269.341 g/mol |
| SMILES |
C(N1[C@@]2(C(C(=O)OCC)C[C@]1(CC2)[H])[H])(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941004 |
![7-(Tert-butoxycarbonyl)-2-endo-carbethoxy-7-azabicyclo[2.2.1]heptane](/api/spectrum/CA4UxhSZ0hZ/structure.png?h=300&w=458 "7-(Tert-butoxycarbonyl)-2-endo-carbethoxy-7-azabicyclo[2.2.1]heptane")
