| SpectraBase Spectrum ID |
58D0Lk1rG3z |
| Name |
3H-Indol-3-one, 5,7-dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-; 5,5',7,7'-tetrachlorindigo |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.918338239 u |
| Formula |
C16H6Cl4N2O2 |
| InChI |
InChI=1S/C16H6Cl4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H/b14-13- |
| InChIKey |
ZMTSIOINQVCKKT-YPKPFQOOSA-N |
| Molecular Weight |
400.048 g/mol |
| SMILES |
N1\C(=C/2C(C3=C(N2)C(=CC(=C3)Cl)Cl)=O)C(C2=CC(=CC(=C12)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.734271 |
