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(6aS,12aS)-6a,12a-dihydro-6H-thiochromeno[3,4-b]chromen-12-one

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

(6aS,12aS)-6a,12a-dihydro-6H-thiochromeno[3,4-b]chromen-12-one
SpectraBase Compound ID 1Sva9UnWsEj
InChI InChI=1S/C16H12O2S/c17-16-10-5-1-3-7-12(10)18-13-9-19-14-8-4-2-6-11(14)15(13)16/h1-8,13,15H,9H2/t13-,15+/m1/s1
InChIKey ZYONBXQBNSQFOW-HIFRSBDPSA-N
Mol Weight 268.33 g/mol
Molecular Formula C16H12O2S
Exact Mass 268.055801 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Eic9vBN5sM6
Name (6as,12As)-6A,12A-dihydro-6H-thiochromeno[3,4-B]chromen-12-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.055800798 u
Formula C16H12O2S
InChI InChI=1S/C16H12O2S/c17-16-10-5-1-3-7-12(10)18-13-9-19-14-8-4-2-6-11(14)15(13)16/h1-8,13,15H,9H2/t13-,15+/m1/s1
InChIKey ZYONBXQBNSQFOW-HIFRSBDPSA-N
SMILES C1([C@@]2([C@](CSC3=C2C=CC=C3)([H])OC2=C1C=CC=C2)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923735