| SpectraBase Compound ID | 3xugO7HbE0u |
|---|---|
| InChI | InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,7H2 |
| InChIKey | IVTAMNNBGCKOBI-UHFFFAOYSA-N |
| Mol Weight | 177.16 g/mol |
| Molecular Formula | C9H7NO3 |
| Exact Mass | 177.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5N7CuzBR82e |
|---|---|
| Name | 3-(4-Nitrophenyl)prop-2-yn-1-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.042593086 u |
| Formula | C9H7NO3 |
| InChI | InChI=1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h3-6,11H,7H2 |
| InChIKey | IVTAMNNBGCKOBI-UHFFFAOYSA-N |
| Molecular Weight | 177.159 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C#CCO)C=C1 |