| SpectraBase Compound ID | 5Gwjo0AAa8K |
|---|---|
| InChI | InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12) |
| InChIKey | MYQFJMYJVJRSGP-UHFFFAOYSA-N |
| Mol Weight | 197.58 g/mol |
| Molecular Formula | C8H4ClNO3 |
| Exact Mass | 196.987971 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4wRtZSuiYuy |
|---|---|
| Name | 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.987970690 u |
| Formula | C8H4ClNO3 |
| InChI | InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12) |
| InChIKey | MYQFJMYJVJRSGP-UHFFFAOYSA-N |
| Molecular Weight | 197.577 g/mol |
| SMILES | N1C=2C=CC(=CC2C(OC1=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.863035 |