| SpectraBase Spectrum ID |
9UtDhS4p9yS |
| Name |
3-(3-Chlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.055656328 u |
| Formula |
C13H12ClNO2 |
| InChI |
InChI=1S/C13H12ClNO2/c1-12-7-13(12,2)11(17)15(10(12)16)9-5-3-4-8(14)6-9/h3-6H,7H2,1-2H3 |
| InChIKey |
HFOQQHPBZZZRNU-UHFFFAOYSA-N |
| Molecular Weight |
249.697 g/mol |
| SMILES |
C=1(N2C(C3(C(C2=O)(C3)C)C)=O)C=CC=C(Cl)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950619 |
![3-(3-Chlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione](/api/spectrum/9UtDhS4p9yS/structure.png?h=300&w=458 "3-(3-Chlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione")
