| SpectraBase Spectrum ID |
CYjhfTAsmmx |
| Name |
3,3'-(Trimethylenediimino)bis[5-chloro-2-indolinone] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.049381105 u |
| Formula |
C19H14Cl2N4O2 |
| InChI |
InChI=1S/C19H14Cl2N4O2/c20-10-2-4-14-12(8-10)16(18(26)24-14)22-6-1-7-23-17-13-9-11(21)3-5-15(13)25-19(17)27/h2-5,8-9H,1,6-7H2,(H,22,24,26)(H,23,25,27) |
| InChIKey |
UNUICRRYERLALY-UHFFFAOYSA-N |
| Molecular Weight |
401.253 g/mol |
| SMILES |
C1=C(Cl)C=CC2=C1\C(C(=O)N2)=N\CCC\N=C\1C=2C=C(Cl)C=CC2NC1=O |
| Spectrum/Structure Validation Score (Raman) |
0.812256 |
![3,3'-(Trimethylenediimino)bis[5-chloro-2-indolinone]](/api/spectrum/CYjhfTAsmmx/structure.png?h=300&w=458 "3,3'-(Trimethylenediimino)bis[5-chloro-2-indolinone]")
