For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phenyl(2-thianthrenyl)methanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Phenyl(2-thianthrenyl)methanone
SpectraBase Compound ID 4ktCDEeKIC3
InChI InChI=1S/C19H12OS2/c20-19(13-6-2-1-3-7-13)14-10-11-17-18(12-14)22-16-9-5-4-8-15(16)21-17/h1-12H
InChIKey UAMSDCXYROMPGT-UHFFFAOYSA-N
Mol Weight 320.42 g/mol
Molecular Formula C19H12OS2
Exact Mass 320.032957 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 189jysSAoT5
Name Phenyl(2-thianthrenyl)methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.032957353 u
Formula C19H12OS2
InChI InChI=1S/C19H12OS2/c20-19(13-6-2-1-3-7-13)14-10-11-17-18(12-14)22-16-9-5-4-8-15(16)21-17/h1-12H
InChIKey UAMSDCXYROMPGT-UHFFFAOYSA-N
Molecular Weight 320.424 g/mol
SMILES C=12SC3=C(SC2=CC=C(C1)C(=O)C1=CC=CC=C1)C=CC=C3
Spectrum/Structure Validation Score (Vapor Phase IR) 0.937631