| SpectraBase Spectrum ID |
HhCENAX4zRp |
| Name |
2-Anthracenecarboxamide, N-(4-fluorophenyl)-9,10-dihydro-9,10-dioxo-1-(propylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.099142778 u |
| Formula |
C24H18FNO3S |
| InChI |
InChI=1S/C24H18FNO3S/c1-2-13-30-23-19(24(29)26-15-9-7-14(25)8-10-15)12-11-18-20(23)22(28)17-6-4-3-5-16(17)21(18)27/h3-12H,2,13H2,1H3,(H,26,29) |
| InChIKey |
MBHRANLNZXLCAE-UHFFFAOYSA-N |
| Molecular Weight |
419.470 g/mol |
| SMILES |
C12=C(C(C3=C(C2=O)C=CC(=C3SCCC)C(=O)NC2=CC=C(C=C2)F)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843502 |
