| SpectraBase Compound ID | LOnrTylFc0g |
|---|---|
| InChI | InChI=1S/C6H7NO3/c1-4(8)5(3-7)6(9)10-2/h5H,1-2H3 |
| InChIKey | RJEUAEFRQVZQJY-UHFFFAOYSA-N |
| Mol Weight | 141.13 g/mol |
| Molecular Formula | C6H7NO3 |
| Exact Mass | 141.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EjD8cmnK3fK |
|---|---|
| Name | Methyl 2-cyano-3-oxobutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.042593086 u |
| Formula | C6H7NO3 |
| InChI | InChI=1S/C6H7NO3/c1-4(8)5(3-7)6(9)10-2/h5H,1-2H3 |
| InChIKey | RJEUAEFRQVZQJY-UHFFFAOYSA-N |
| Molecular Weight | 141.126 g/mol |
| SMILES | C(C(OC)=O)(C(C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980181 |