| SpectraBase Compound ID | 7q2Ya2MsOnM |
|---|---|
| InChI | InChI=1S/C15H10BrNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3 |
| InChIKey | IIPRUQZTMZETSL-UHFFFAOYSA-N |
| Mol Weight | 316.15 g/mol |
| Molecular Formula | C15H10BrNO2 |
| Exact Mass | 314.989492 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2B7rYbXsnuj |
|---|---|
| Name | 4-Bromo-4-(methylamino)anthraquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.989491564 u |
| Formula | C15H10BrNO2 |
| InChI | InChI=1S/C15H10BrNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3 |
| InChIKey | IIPRUQZTMZETSL-UHFFFAOYSA-N |
| SMILES | N(C1=CC=C(C=2C(C=3C=CC=CC3C(C12)=O)=O)Br)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938029 |