| SpectraBase Compound ID | exfrcHoIog |
|---|---|
| InChI | InChI=1S/C8H7NO2/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5H,1H3 |
| InChIKey | FPAWCBFVQUUUIB-UHFFFAOYSA-N |
| Mol Weight | 149.15 g/mol |
| Molecular Formula | C8H7NO2 |
| Exact Mass | 149.047678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AsMYKBGREgq |
|---|---|
| Name | 4-Nitrosoacetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 149.047678467 u |
| Formula | C8H7NO2 |
| InChI | InChI=1S/C8H7NO2/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5H,1H3 |
| InChIKey | FPAWCBFVQUUUIB-UHFFFAOYSA-N |
| Molecular Weight | 149.149 g/mol |
| SMILES | C=1(N=O)C=CC(=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931698 |