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1,2,3-Trimethylthioxanthone

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

1,2,3-Trimethylthioxanthone
SpectraBase Compound ID 9NWIizW6dcY
InChI InChI=1S/C16H14OS/c1-9-8-14-15(11(3)10(9)2)16(17)12-6-4-5-7-13(12)18-14/h4-8H,1-3H3
InChIKey MGYHOADNSARBGS-UHFFFAOYSA-N
Mol Weight 254.35 g/mol
Molecular Formula C16H14OS
Exact Mass 254.076536 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8pz5hLRWA2k
Name 1,2,3-Trimethylthioxanthone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.076536244 u
Formula C16H14OS
InChI InChI=1S/C16H14OS/c1-9-8-14-15(11(3)10(9)2)16(17)12-6-4-5-7-13(12)18-14/h4-8H,1-3H3
InChIKey MGYHOADNSARBGS-UHFFFAOYSA-N
Molecular Weight 254.347 g/mol
SMILES C1=2C(C=3C=CC=CC3SC2C=C(C(=C1C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.855877