| SpectraBase Spectrum ID |
9FrDxbqGF6A |
| Name |
(1R,6R)-Tert-butyl 8-oxo-7-azabicyclo[4.2.1]non-4-ene-7-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.136493473 u |
| Formula |
C13H19NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(8-10)11(14)15/h5,7,9-10H,4,6,8H2,1-3H3/t9-,10+/m1/s1 |
| InChIKey |
TZCMJWQDMDZVML-ZJUUUORDSA-N |
| Molecular Weight |
237.299 g/mol |
| SMILES |
C(N1C([C@@]2(CCC=C[C@]1(C2)[H])[H])=O)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965412 |
![(1R,6R)-Tert-butyl 8-oxo-7-azabicyclo[4.2.1]non-4-ene-7-carboxylate](/api/spectrum/9FrDxbqGF6A/structure.png?h=300&w=458 "(1R,6R)-Tert-butyl 8-oxo-7-azabicyclo[4.2.1]non-4-ene-7-carboxylate")
