| SpectraBase Compound ID | 6WHftje5lkI |
|---|---|
| InChI | InChI=1S/C11H8S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-3,7,9-10H,1H3/b3-2+ |
| InChIKey | VDPJXBAVKXXKLA-NSCUHMNNSA-N |
| Mol Weight | 172.24 g/mol |
| Molecular Formula | C11H8S |
| Exact Mass | 172.034671 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9tMGqKUIyYV |
|---|---|
| Name | Xanthopappin A |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H8S |
| InChI | InChI=1S/C11H8S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h2-3,7,9-10H,1H3/b3-2+ |
| InChIKey | VDPJXBAVKXXKLA-NSCUHMNNSA-N |
| Molecular Weight | 172.245 g/mol |
| SMILES | C(C#C\C=C\C)#Cc1sccc1 |
| SPLASH | splash10-00di-0900000000-ec4d9b79f691d8aa48dd |
| Source of Spectrum | G4-69-1243-1 |
| Wiley ID | 1694486 |