| SpectraBase Compound ID | 2H0dBmr6yTh |
|---|---|
| InChI | InChI=1S/C12H10OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-7,13H,8H2,1H3 |
| InChIKey | APCVAJQBZZMWEY-UHFFFAOYSA-N |
| Mol Weight | 234.33 g/mol |
| Molecular Formula | C12H10OS2 |
| Exact Mass | 234.017307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDywpw1Tuke |
|---|---|
| Name | Arctinol A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.017307289 u |
| Formula | C12H10OS2 |
| InChI | InChI=1S/C12H10OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-7,13H,8H2,1H3 |
| InChIKey | APCVAJQBZZMWEY-UHFFFAOYSA-N |
| Molecular Weight | 234.331 g/mol |
| SMILES | C1(=CC=C(S1)CO)C1=CC=C(S1)C#CC |