![3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-phenyl-](/api/spectrum/1IsFsH2vnJ1/structure.png?h=300&w=458 "3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-phenyl-")
| SpectraBase Compound ID | 7407EIRSlbk |
|---|---|
| InChI | InChI=1S/C11H9NO2/c13-10-8-6-9(8)11(14)12(10)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey | MOLSZXACYHAGBZ-UHFFFAOYSA-N |
| Mol Weight | 187.2 g/mol |
| Molecular Formula | C11H9NO2 |
| Exact Mass | 187.063329 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1IsFsH2vnJ1 |
|---|---|
| Name | 3-Azabicyclo[3.1.0]hexane-2,4-dione, 3-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.063328532 u |
| Formula | C11H9NO2 |
| InChI | InChI=1S/C11H9NO2/c13-10-8-6-9(8)11(14)12(10)7-4-2-1-3-5-7/h1-5,8-9H,6H2 |
| InChIKey | MOLSZXACYHAGBZ-UHFFFAOYSA-N |
| Molecular Weight | 187.198 g/mol |
| SMILES | C1=C(C=CC=C1)N1C(C2C(C1=O)C2)=O |
| Spectrum/Structure Validation Score (Raman) | 0.728158 |