| SpectraBase Compound ID | 67rTANQnwxR |
|---|---|
| InChI | InChI=1S/C6H7NO3/c1-3-4(2)7-6(9)10-5(3)8/h1-2H3,(H,7,9) |
| InChIKey | CTDMVKXECCUFNH-UHFFFAOYSA-N |
| Mol Weight | 141.13 g/mol |
| Molecular Formula | C6H7NO3 |
| Exact Mass | 141.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CO6Htj0zv5i |
|---|---|
| Name | 4,5-Dimethyl-2H-1,3-oxazine-3H-2,6-dione |
| 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/c1-3-4(2)7-6(9)10-5(3)8/h1-2H3,(H,7,9) |
| InChIKey | CTDMVKXECCUFNH-UHFFFAOYSA-N |
| Molecular Weight | 141.126 g/mol |
| SMILES | C1(=C(NC(OC1=O)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97683 |