| SpectraBase Spectrum ID |
AWjT5uD7IH4 |
| Name |
2-Benzoyl-3-methyl-2,3-diazabicyclo-[3.3.0]-oct-7-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.126263142 u |
| Formula |
C14H16N2O |
| InChI |
InChI=1S/C14H16N2O/c1-15-10-12-8-5-9-13(12)16(15)14(17)11-6-3-2-4-7-11/h2-7,9,12-13H,8,10H2,1H3 |
| InChIKey |
MXOZJYLMKJKEKA-UHFFFAOYSA-N |
| Molecular Weight |
228.295 g/mol |
| SMILES |
C12N(N(CC1CC=C2)C)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954442 |
![2-Benzoyl-3-methyl-2,3-diazabicyclo-[3.3.0]-oct-7-ene](/api/spectrum/AWjT5uD7IH4/structure.png?h=300&w=458 "2-Benzoyl-3-methyl-2,3-diazabicyclo-[3.3.0]-oct-7-ene")
