| SpectraBase Compound ID | 6NFPBfNFZqP |
|---|---|
| InChI | InChI=1S/C14H22O2S2/c1-5-17-7-11-9(3)10(4)12(8-18-6-2)14(16)13(11)15/h15-16H,5-8H2,1-4H3 |
| InChIKey | RPLOUJIQMKUYLF-UHFFFAOYSA-N |
| Mol Weight | 286.45 g/mol |
| Molecular Formula | C14H22O2S2 |
| Exact Mass | 286.106122 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B82GWMICHGA |
|---|---|
| Name | 3,6-di(Ethylthiomethyl)catechol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.106122294 u |
| Formula | C14H22O2S2 |
| InChI | InChI=1S/C14H22O2S2/c1-5-17-7-11-9(3)10(4)12(8-18-6-2)14(16)13(11)15/h15-16H,5-8H2,1-4H3 |
| InChIKey | RPLOUJIQMKUYLF-UHFFFAOYSA-N |
| SMILES | C1(=C(C(O)=C(C(=C1C)C)CSCC)O)CSCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938472 |