| SpectraBase Compound ID | HVrsfQtKBQZ |
|---|---|
| InChI | InChI=1S/C4H7NO3/c1-4(6)2-3-5(7)8/h2-3H2,1H3 |
| InChIKey | ZZUHQGCKXVUCFZ-UHFFFAOYSA-N |
| Mol Weight | 117.1 g/mol |
| Molecular Formula | C4H7NO3 |
| Exact Mass | 117.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4w99uVHRId0 |
|---|---|
| Name | 4-Nitro-butanone |
| 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(6)2-3-5(7)8/h2-3H2,1H3 |
| InChIKey | ZZUHQGCKXVUCFZ-UHFFFAOYSA-N |
| Molecular Weight | 117.104 g/mol |
| SMILES | C(=O)(C)CCN(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.827385 |