| SpectraBase Compound ID | BJwbbgErDgn |
|---|---|
| InChI | InChI=1S/C5H5NO3/c1-6-3-2-4(7)9-5(6)8/h2-3H,1H3 |
| InChIKey | XXJVBDWSCTZNGK-UHFFFAOYSA-N |
| Mol Weight | 127.1 g/mol |
| Molecular Formula | C5H5NO3 |
| Exact Mass | 127.026943 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6s54aIntpUG |
|---|---|
| Name | 3-Methyl-2H-1,3-oxazine-2,6(3H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.026943022 u |
| Formula | C5H5NO3 |
| InChI | InChI=1S/C5H5NO3/c1-6-3-2-4(7)9-5(6)8/h2-3H,1H3 |
| InChIKey | XXJVBDWSCTZNGK-UHFFFAOYSA-N |
| Molecular Weight | 127.099 g/mol |
| SMILES | C1(OC(=O)C=CN1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980312 |