| SpectraBase Compound ID | AdI3avYc6Xo |
|---|---|
| InChI | InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3 |
| InChIKey | SUGZATOHBPXTDV-UHFFFAOYSA-N |
| Mol Weight | 103.12 g/mol |
| Molecular Formula | C4H9NO2 |
| Exact Mass | 103.063329 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BSlMUmxhRmW |
|---|---|
| Name | 2-Nitrobutan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 103.063328532 u |
| Formula | C4H9NO2 |
| InChI | InChI=1S/C4H9NO2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3 |
| InChIKey | SUGZATOHBPXTDV-UHFFFAOYSA-N |
| Molecular Weight | 103.121 g/mol |
| SMILES | C(N(=O)=O)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868358 |