| SpectraBase Compound ID | HMGIl6t0Xu4 |
|---|---|
| InChI | InChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3 |
| InChIKey | FKTQNWWDMJDNHA-UHFFFAOYSA-N |
| Mol Weight | 211.6 g/mol |
| Molecular Formula | C9H6ClNO3 |
| Exact Mass | 211.003621 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3P2md8tGBMH |
|---|---|
| Name | 6-Chloro-1-methyl-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 | 211.003620754 u |
| Formula | C9H6ClNO3 |
| InChI | InChI=1S/C9H6ClNO3/c1-11-7-3-2-5(10)4-6(7)8(12)14-9(11)13/h2-4H,1H3 |
| InChIKey | FKTQNWWDMJDNHA-UHFFFAOYSA-N |
| Molecular Weight | 211.604 g/mol |
| SMILES | C=12C=C(C=CC1N(C(OC2=O)=O)C)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.868296 |