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(1,4-Dioxanediyl-2,3-dithio)ethylenedithiotetrathiafulvalene

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

(1,4-Dioxanediyl-2,3-dithio)ethylenedithiotetrathiafulvalene
SpectraBase Compound ID JIxIInblDeT
InChI InChI=1S/C12H10O2S8/c1-2-14-6-5(13-1)17-9-10(18-6)22-12(21-9)11-19-7-8(20-11)16-4-3-15-7/h5-6H,1-4H2
InChIKey YUFRAYWYOAFEQR-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C12H10O2S8
Exact Mass 441.844649 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4wkfhp92320
Name (1,4-Dioxanediyl-2,3-dithio)ethylenedithiotetrathiafulvalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.844648952 u
Formula C12H10O2S8
InChI InChI=1S/C12H10O2S8/c1-2-14-6-5(13-1)17-9-10(18-6)22-12(21-9)11-19-7-8(20-11)16-4-3-15-7/h5-6H,1-4H2
InChIKey YUFRAYWYOAFEQR-UHFFFAOYSA-N
Molecular Weight 442.690 g/mol
SMILES C12=C(SC(S2)=C2SC=3SCCSC3S2)SC2C(S1)OCCO2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95181