| SpectraBase Compound ID | 3GmfCsMJvut |
|---|---|
| InChI | InChI=1S/C12H6ClN3O5/c13-6-1-2-10-8(3-6)14-12-9(16(19)20)4-7(15(17)18)5-11(12)21-10/h1-5,14H |
| InChIKey | RHCRPQSFUBUINC-UHFFFAOYSA-N |
| Mol Weight | 307.65 g/mol |
| Molecular Formula | C12H6ClN3O5 |
| Exact Mass | 306.999598 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | F3qMob37ewv |
|---|---|
| Name | 8-Chloro-1,3-dinitrophenoxazine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.999598000 u |
| Formula | C12H6ClN3O5 |
| InChI | InChI=1S/C12H6ClN3O5/c13-6-1-2-10-8(3-6)14-12-9(16(19)20)4-7(15(17)18)5-11(12)21-10/h1-5,14H |
| InChIKey | RHCRPQSFUBUINC-UHFFFAOYSA-N |
| SMILES | N1C=2C=C(C=CC2OC=2C=C(C=C(C12)N(=O)=O)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.93945 |