| SpectraBase Spectrum ID |
5XCHXnt901z |
| Name |
1-Amino-4-bromoanthraquinone-2-carboxaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.968756119 u |
| Formula |
C15H8BrNO3 |
| InChI |
InChI=1S/C15H8BrNO3/c16-10-5-7(6-18)13(17)12-11(10)14(19)8-3-1-2-4-9(8)15(12)20/h1-6H,17H2 |
| InChIKey |
FOFHLAQACXCJQN-UHFFFAOYSA-N |
| Molecular Weight |
330.137 g/mol |
| SMILES |
C12=C(C=CC=C2)C(C=2C(C1=O)=C(C=C(C2N)C=O)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938442 |
