| SpectraBase Spectrum ID |
5g9jRHdKGPv |
| Name |
3-[(1R,9S)-6-oxo-7,11-Diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]propanenitrile |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.137162178 u |
| Formula |
C14H17N3O |
| InChI |
InChI=1S/C14H17N3O/c15-5-2-6-16-8-11-7-12(10-16)13-3-1-4-14(18)17(13)9-11/h1,3-4,11-12H,2,6-10H2 |
| InChIKey |
ACXNYGJPWCYWMB-UHFFFAOYSA-N |
| Molecular Weight |
243.310 g/mol |
| SMILES |
C(CC#N)N1CC2CN3C(C(C1)C2)=CC=CC3=O |
![3-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]propanenitrile](/api/spectrum/5g9jRHdKGPv/structure.png?h=300&w=458 "3-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl]propanenitrile")
