| SpectraBase Spectrum ID |
EGPtrdunQCf |
| Name |
2-(4-Keto-4-phenothiazin-10-yl-butyl)isoindoline-1,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.103813619 u |
| Formula |
C24H18N2O3S |
| InChI |
InChI=1S/C24H18N2O3S/c27-22(14-7-15-25-23(28)16-8-1-2-9-17(16)24(25)29)26-18-10-3-5-12-20(18)30-21-13-6-4-11-19(21)26/h1-6,8-13H,7,14-15H2 |
| InChIKey |
UQJDJMSXZGTXOM-UHFFFAOYSA-N |
| Molecular Weight |
414.479 g/mol |
| SMILES |
C=1C=CC=2N(C(CCCN3C(C=4C=CC=CC4C3=O)=O)=O)C3=C(SC2C1)C=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855248 |
