SpectraBase Spectrum ID |
8WUq4tArdC0 |
Name |
5-Bromo-7-methyl-2,3'-biindole-2',3(1H,1'H)-dione |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
354.000390600 u |
Formula |
C17H11BrN2O2 |
InChI |
InChI=1S/C17H11BrN2O2/c1-8-6-9(18)7-11-14(8)20-15(16(11)21)13-10-4-2-3-5-12(10)19-17(13)22/h2-7,20H,1H3,(H,19,22)/b15-13+ |
InChIKey |
XPNQAKIWYSDRLD-FYWRMAATSA-N |
Molecular Weight |
355.191 g/mol |
SMILES |
N1\C(=C\2C(NC3=C2C=CC=C3)=O)C(C2=CC(=CC(=C12)C)Br)=O |
Spectrum/Structure Validation Score (Raman) |
0.981824 |