| SpectraBase Spectrum ID |
74Wpq91YUDL |
| Name |
6-Bromo-2-(6-bromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.895253504 u |
| Formula |
C16H8Br2N2O2 |
| InChI |
InChI=1S/C16H8Br2N2O2/c17-7-1-3-9-11(5-7)19-13(15(9)21)14-16(22)10-4-2-8(18)6-12(10)20-14/h1-6,19-20H/b14-13+ |
| InChIKey |
ZVAPIIDBWWULJN-BUHFOSPRSA-N |
| Molecular Weight |
420.060 g/mol |
| SMILES |
C=12N\C(=C\3NC=4C=C(Br)C=CC4C3=O)C(C1C=CC(=C2)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.923766 |
