| SpectraBase Spectrum ID |
CFboPmk5hlz |
| Name |
1H-Indene-1,3(2H)-dione, 2-[2-(1-methylnaphtho[1,2-D]thiazol-2(1H)-ylidene)-1-phenylethylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.113650028 u |
| Formula |
C29H19NO2S |
| InChI |
InChI=1S/C29H19NO2S/c1-30-25(33-24-16-15-19-11-5-6-12-20(19)27(24)30)17-23(18-9-3-2-4-10-18)26-28(31)21-13-7-8-14-22(21)29(26)32/h2-17H,1H3/b25-17- |
| InChIKey |
FJQMUUGJDDNWPS-UQQQWYQISA-N |
| Molecular Weight |
445.536 g/mol |
| SMILES |
CN1\C(SC2=CC=C3C=CC=CC3=C12)=C\C(=C1C(=O)C2=CC=CC=C2C1=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941548 |