| SpectraBase Compound ID | KwyasHagMcZ |
|---|---|
| InChI | InChI=1S/C14H8ClNO2/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2 |
| InChIKey | VMOJFUJVEWWUAV-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 | A65aqlCjORX |
|---|---|
| Name | 2-Amino-3-chloroanthraquinone |
| 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/c15-11-5-9-10(6-12(11)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,16H2 |
| InChIKey | VMOJFUJVEWWUAV-UHFFFAOYSA-N |
| Molecular Weight | 257.676 g/mol |
| SMILES | NC1=CC=2C(=O)C=3C=CC=CC3C(C2C=C1Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.785196 |