| SpectraBase Compound ID | KdgBvOBaza8 |
|---|---|
| InChI | InChI=1S/C13H10OS2/c1-3-4-10-5-6-12(15-10)13-8-7-11(16-13)9(2)14/h5-8H,1-2H3 |
| InChIKey | UPOWHCBUDJLAIB-UHFFFAOYSA-N |
| Mol Weight | 246.34 g/mol |
| Molecular Formula | C13H10OS2 |
| Exact Mass | 246.017307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrLcK9jxtex |
|---|---|
| Name | Arctinone B |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.017307289 u |
| Formula | C13H10OS2 |
| InChI | InChI=1S/C13H10OS2/c1-3-4-10-5-6-12(15-10)13-8-7-11(16-13)9(2)14/h5-8H,1-2H3 |
| InChIKey | UPOWHCBUDJLAIB-UHFFFAOYSA-N |
| Molecular Weight | 246.342 g/mol |
| SMILES | C1(=CC=C(S1)C(C)=O)C1=CC=C(S1)C#CC |