| SpectraBase Spectrum ID |
6pwu4Yvxaxm |
| Name |
3-Chloranyl-N-[7-(3-chloranylpropanoylamino)-9,10-bis(oxidanylidene)anthracen-2-yl]propanamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.048712399 u |
| Formula |
C20H16Cl2N2O4 |
| InChI |
InChI=1S/C20H16Cl2N2O4/c21-7-5-17(25)23-11-1-3-13-15(9-11)20(28)16-10-12(24-18(26)6-8-22)2-4-14(16)19(13)27/h1-4,9-10H,5-8H2,(H,23,25)(H,24,26) |
| InChIKey |
ZOTZWUALAZOEAF-UHFFFAOYSA-N |
| Molecular Weight |
419.264 g/mol |
| SMILES |
C1=2C(C3=CC(NC(CCCl)=O)=CC=C3C(C2C=CC(NC(CCCl)=O)=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902803 |
![3-Chloranyl-N-[7-(3-chloranylpropanoylamino)-9,10-bis(oxidanylidene)anthracen-2-yl]propanamide](/api/spectrum/6pwu4Yvxaxm/structure.png?h=300&w=458 "3-Chloranyl-N-[7-(3-chloranylpropanoylamino)-9,10-bis(oxidanylidene)anthracen-2-yl]propanamide")
