| SpectraBase Compound ID | 9zbVGY7UF0B |
|---|---|
| InChI | InChI=1S/C11H9NO/c13-11-8-4-7-10(11)12-9-5-2-1-3-6-9/h1-8H,(H,12,13) |
| InChIKey | JXKSOAMXWMMESL-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C11H9NO |
| Exact Mass | 171.068414 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8NYFrBi1Xsh |
|---|---|
| Name | 2-(Phenylamino)cyclopenta-2,4-dien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.068413913 u |
| Formula | C11H9NO |
| InChI | InChI=1S/C11H9NO/c13-11-8-4-7-10(11)12-9-5-2-1-3-6-9/h1-8H,(H,12,13) |
| InChIKey | JXKSOAMXWMMESL-UHFFFAOYSA-N |
| Molecular Weight | 171.199 g/mol |
| SMILES | C1=CC(=O)C(=C1)NC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.974942 |