| SpectraBase Compound ID | 94GxopLn9r9 |
|---|---|
| InChI | InChI=1S/C10H9NO3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-7H,1H3/b6-5+ |
| InChIKey | OPKJBIYOZSELCA-AATRIKPKSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C10H9NO3 |
| Exact Mass | 191.058243 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2BC7d3bQrMD |
|---|---|
| Name | 4-(m-Nitrophenyl)-3-buten-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.058243151 u |
| Formula | C10H9NO3 |
| InChI | InChI=1S/C10H9NO3/c1-8(12)5-6-9-3-2-4-10(7-9)11(13)14/h2-7H,1H3/b6-5+ |
| InChIKey | OPKJBIYOZSELCA-AATRIKPKSA-N |
| Molecular Weight | 191.186 g/mol |
| SMILES | C1=C(C=C(C=C1)N(=O)=O)\C=C\C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95226 |