| SpectraBase Compound ID | Gh1vzXsfeDz |
|---|---|
| InChI | InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(4)8-7(10)11-6/h1-3H2,(H,8,10) |
| InChIKey | AWPODVWBJCGJFY-UHFFFAOYSA-N |
| Mol Weight | 153.14 g/mol |
| Molecular Formula | C7H7NO3 |
| Exact Mass | 153.042593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7H7C5I0JtMQ |
|---|---|
| Name | 4,5-Trimethylene-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 | 153.042593086 u |
| Formula | C7H7NO3 |
| InChI | InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(4)8-7(10)11-6/h1-3H2,(H,8,10) |
| InChIKey | AWPODVWBJCGJFY-UHFFFAOYSA-N |
| Molecular Weight | 153.137 g/mol |
| SMILES | C12=C(NC(OC2=O)=O)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975276 |