![5-[3,4-Dichlorophenyl]-2H-1,3-[3H]-oxazine-2,6-dione](/api/spectrum/L7aeiZkEYdt/structure.png?h=300&w=458 "5-[3,4-Dichlorophenyl]-2H-1,3-[3H]-oxazine-2,6-dione")
| SpectraBase Compound ID | FOU5b6mdk1O |
|---|---|
| InChI | InChI=1S/C10H5Cl2NO3/c11-7-2-1-5(3-8(7)12)6-4-13-10(15)16-9(6)14/h1-4H,(H,13,15) |
| InChIKey | BUDOAVUQFWPUII-UHFFFAOYSA-N |
| Mol Weight | 258.06 g/mol |
| Molecular Formula | C10H5Cl2NO3 |
| Exact Mass | 256.964648 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L7aeiZkEYdt |
|---|---|
| Name | 5-[3,4-Dichlorophenyl]-2H-1,3-[3H]-oxazine-2,6-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.964648422 u |
| Formula | C10H5Cl2NO3 |
| InChI | InChI=1S/C10H5Cl2NO3/c11-7-2-1-5(3-8(7)12)6-4-13-10(15)16-9(6)14/h1-4H,(H,13,15) |
| InChIKey | BUDOAVUQFWPUII-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1Cl)Cl)C1=CNC(OC1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890518 |