| SpectraBase Spectrum ID |
LJh0hVPEJcE |
| Name |
1H-2-Benzopyran-1,3(4H)-dione, 4-[2-(3-ethyl-5-phenyl-2(3H)-benzothiazolylidene)ethylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.108564647 u |
| Formula |
C26H19NO3S |
| InChI |
InChI=1S/C26H19NO3S/c1-2-27-22-16-18(17-8-4-3-5-9-17)12-14-23(22)31-24(27)15-13-21-19-10-6-7-11-20(19)25(28)30-26(21)29/h3-16H,2H2,1H3/b21-13-,24-15- |
| InChIKey |
JXTYLQNVXMLZHA-ZZWPXBBISA-N |
| Molecular Weight |
425.502 g/mol |
| SMILES |
CCN1\C(SC2=CC=C(C=C12)C1=CC=CC=C1)=C\C=C/1C(=O)OC(=O)C2=CC=CC=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952614 |
![1H-2-benzopyran-1,3(4H)-dione, 4-[2-(3-ethyl-5-phenyl-2(3H)-benzothiazolylidene)ethylidene]-](/api/spectrum/LJh0hVPEJcE/structure.png?h=300&w=458 "1H-2-benzopyran-1,3(4H)-dione, 4-[2-(3-ethyl-5-phenyl-2(3H)-benzothiazolylidene)ethylidene]-")
