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Thioxanthene, 9-(tetrahydrothiopyranyliden-4-yl)-

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Thioxanthene, 9-(tetrahydrothiopyranyliden-4-yl)-
SpectraBase Compound ID 7Xg86mmfd67
InChI InChI=1S/C18H16S2/c1-3-7-16-14(5-1)18(13-9-11-19-12-10-13)15-6-2-4-8-17(15)20-16/h1-8H,9-12H2
InChIKey ZHPSOPYRZQWSLI-UHFFFAOYSA-N
Mol Weight 296.45 g/mol
Molecular Formula C18H16S2
Exact Mass 296.069343 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5PlKwJ36CBZ
Name Thioxanthene, 9-(tetrahydrothiopyranyliden-4-yl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.069342863 u
Formula C18H16S2
InChI InChI=1S/C18H16S2/c1-3-7-16-14(5-1)18(13-9-11-19-12-10-13)15-6-2-4-8-17(15)20-16/h1-8H,9-12H2
InChIKey ZHPSOPYRZQWSLI-UHFFFAOYSA-N
SMILES C1CC(CCS1)=C1C2=C(SC=3C1=CC=CC3)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902688