| SpectraBase Compound ID | JiD83wfvcQG |
|---|---|
| InChI | InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12) |
| InChIKey | QGNQEODJYRGEJX-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EAKpItcrW0b |
|---|---|
| Name | Homophthalimide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 161.047678467 u |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1-4H,5H2,(H,10,11,12) |
| InChIKey | QGNQEODJYRGEJX-UHFFFAOYSA-N |
| Molecular Weight | 161.160 g/mol |
| SMILES | C1=CC=C2C(=C1)C(NC(C2)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939099 |