| SpectraBase Compound ID | 23zKeBCVYF2 |
|---|---|
| InChI | InChI=1S/C4H7NO3/c1-4(3-6)2-5(7)8/h2,6H,3H2,1H3/b4-2+ |
| InChIKey | SNSIXFGQHRSLKR-DUXPYHPUSA-N |
| Mol Weight | 117.1 g/mol |
| Molecular Formula | C4H7NO3 |
| Exact Mass | 117.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7aziaLkmXZ3 |
|---|---|
| Name | 2-Methyl-3-nitro-2-propen-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 117.042593086 u |
| Formula | C4H7NO3 |
| InChI | InChI=1S/C4H7NO3/c1-4(3-6)2-5(7)8/h2,6H,3H2,1H3/b4-2+ |
| InChIKey | SNSIXFGQHRSLKR-DUXPYHPUSA-N |
| Molecular Weight | 117.104 g/mol |
| SMILES | C(\C(=C\N(=O)=O)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923487 |