SpectraBase Compound ID | 97fhnFYUvJf |
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InChI | InChI=1S/C8H10O2S2/c1-9-5-3-7(11)8(12)4-6(5)10-2/h3-4,11-12H,1-2H3 |
InChIKey | RKMHBCHUWNKSCY-UHFFFAOYSA-N |
Mol Weight | 202.29 g/mol |
Molecular Formula | C8H10O2S2 |
Exact Mass | 202.012222 g/mol |
SpectraBase Spectrum ID | ByD9f15FMXI |
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Name | 4,5-Dimethoxybenzene-1,2-dithiol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 202.012221908 u |
Formula | C8H10O2S2 |
InChI | InChI=1S/C8H10O2S2/c1-9-5-3-7(11)8(12)4-6(5)10-2/h3-4,11-12H,1-2H3 |
InChIKey | RKMHBCHUWNKSCY-UHFFFAOYSA-N |
Molecular Weight | 202.286 g/mol |
SMILES | C1=C(C(S)=CC(=C1OC)OC)S |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954298 |