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1H-indene-1,3(2H)-dione, 2-[2-(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-phenylethylidene]-
SpectraBase Compound ID A14VLjGx2M3
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
Mol Weight 445.54 g/mol
Molecular Formula C29H19NO2S
Exact Mass 445.11365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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