| SpectraBase Compound ID | 4QzP5Bqn63m |
|---|---|
| InChI | InChI=1S/C8H8O2S2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3 |
| InChIKey | YKACRWQBIQOFEK-UHFFFAOYSA-N |
| Mol Weight | 200.27 g/mol |
| Molecular Formula | C8H8O2S2 |
| Exact Mass | 199.996572 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AivxR4AgNle |
|---|---|
| Name | Dithio-beta-resorcylic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.996571844 u |
| Formula | C8H8O2S2 |
| InChI | InChI=1S/C8H8O2S2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,9-10H,1H3 |
| InChIKey | YKACRWQBIQOFEK-UHFFFAOYSA-N |
| Molecular Weight | 200.270 g/mol |
| SMILES | OC=1C=CC(=C(C1)O)C(SC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.831477 |