| SpectraBase Compound ID | KDfO7da5JMj |
|---|---|
| InChI | InChI=1S/C14H8ClNO2/c15-10-6-7-12-11(8-10)14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H |
| InChIKey | RQDCQRFZYXJXMW-UHFFFAOYSA-N |
| Mol Weight | 257.68 g/mol |
| Molecular Formula | C14H8ClNO2 |
| Exact Mass | 257.024356 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 19ySXHJBndQ |
|---|---|
| Name | 6-Chloro-2-phenyl-4H-3,1-benzoxazin-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.024356200 u |
| Formula | C14H8ClNO2 |
| InChI | InChI=1S/C14H8ClNO2/c15-10-6-7-12-11(8-10)14(17)18-13(16-12)9-4-2-1-3-5-9/h1-8H |
| InChIKey | RQDCQRFZYXJXMW-UHFFFAOYSA-N |
| SMILES | C=12C=C(C=CC1N=C(OC2=O)C=1C=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.941306 |