| SpectraBase Spectrum ID |
BH1SGWrou2y |
| Name |
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-bis(octylamino)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.215383805 u |
| Formula |
C22H36Cl2N2O2 |
| InChI |
InChI=1S/C22H36Cl2N2O2/c1-3-5-7-9-11-13-15-25-19-17(23)22(28)20(18(24)21(19)27)26-16-14-12-10-8-6-4-2/h25-26H,3-16H2,1-2H3 |
| InChIKey |
PYPFVAVEAYPINP-UHFFFAOYSA-N |
| Molecular Weight |
431.448 g/mol |
| SMILES |
CCCCCCCCNC1=C(Cl)C(=O)C(=C(Cl)C1=O)NCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872637 |
