| SpectraBase Compound ID | EBitUhUS2tP |
|---|---|
| InChI | InChI=1S/C9H5NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,(H,11,12) |
| InChIKey | SMMZCQTZVBTDLS-UHFFFAOYSA-N |
| Mol Weight | 191.14 g/mol |
| Molecular Formula | C9H5NO4 |
| Exact Mass | 191.021858 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4uF9DGVylXj |
|---|---|
| Name | 3-(4-Nitrophenyl)propiolic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.021857641 u |
| Formula | C9H5NO4 |
| InChI | InChI=1S/C9H5NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,(H,11,12) |
| InChIKey | SMMZCQTZVBTDLS-UHFFFAOYSA-N |
| Molecular Weight | 191.142 g/mol |
| SMILES | C1=CC(=CC=C1C#CC(O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952202 |