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3-Phenyl-1-(2-thianthrenyl)-2-propen-1-one

View entire compound with spectra: 1 FTIR, 1 Raman, and 1 UV-Vis

3-Phenyl-1-(2-thianthrenyl)-2-propen-1-one
SpectraBase Compound ID KTn6Q58U5l1
InChI InChI=1S/C21H14OS2/c22-17(12-10-15-6-2-1-3-7-15)16-11-13-20-21(14-16)24-19-9-5-4-8-18(19)23-20/h1-14H
InChIKey PDOYOYOHCYKKQY-UHFFFAOYSA-N
Mol Weight 346.46 g/mol
Molecular Formula C21H14OS2
Exact Mass 346.048607 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 8iiAm8jW7Jb
Name 3-Phenyl-1-(2-thianthrenyl)-2-propen-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.048607418 u
Formula C21H14OS2
InChI InChI=1S/C21H14OS2/c22-17(12-10-15-6-2-1-3-7-15)16-11-13-20-21(14-16)24-19-9-5-4-8-18(19)23-20/h1-14H
InChIKey PDOYOYOHCYKKQY-UHFFFAOYSA-N
Molecular Weight 346.462 g/mol
SMILES C=12C=CC=CC1SC=1C=CC(=CC1S2)C(C=CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.974445