| SpectraBase Compound ID | 9Tpp4icowwk |
|---|---|
| InChI | InChI=1S/C12H10OS2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3 |
| InChIKey | TZGNQUXJSKFTJU-UHFFFAOYSA-N |
| Mol Weight | 234.33 g/mol |
| Molecular Formula | C12H10OS2 |
| Exact Mass | 234.017307 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5izSWpu3g7Y |
|---|---|
| Name | Dithio-4-hydroxy-1-naphthoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.017307289 u |
| Formula | C12H10OS2 |
| InChI | InChI=1S/C12H10OS2/c1-15-12(14)10-6-7-11(13)9-5-3-2-4-8(9)10/h2-7,13H,1H3 |
| InChIKey | TZGNQUXJSKFTJU-UHFFFAOYSA-N |
| Molecular Weight | 234.331 g/mol |
| SMILES | OC1=CC=C(C=2C=CC=CC12)C(SC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.92108 |