| SpectraBase Compound ID | 7CtFeKUQSyy |
|---|---|
| InChI | InChI=1S/C10H7NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6H,1H3 |
| InChIKey | XNRRUKAHRUCWGC-UHFFFAOYSA-N |
| Mol Weight | 205.17 g/mol |
| Molecular Formula | C10H7NO4 |
| Exact Mass | 205.037508 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | VBDngEmFfs |
|---|---|
| Name | Methyl 3-(4-nitrophenyl)propiolate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.037507705 u |
| Formula | C10H7NO4 |
| InChI | InChI=1S/C10H7NO4/c1-15-10(12)7-4-8-2-5-9(6-3-8)11(13)14/h2-3,5-6H,1H3 |
| InChIKey | XNRRUKAHRUCWGC-UHFFFAOYSA-N |
| Molecular Weight | 205.169 g/mol |
| SMILES | C(C#CC1=CC=C(C=C1)N(=O)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935065 |