| SpectraBase Compound ID | CKMbgw1nkzg |
|---|---|
| InChI | InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey | MDYPJPPXVOPUNX-UHFFFAOYSA-N |
| Mol Weight | 162.21 g/mol |
| Molecular Formula | C9H6OS |
| Exact Mass | 162.013936 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bM1VzphvAV |
|---|---|
| Name | 1-THIOCOUMARIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H6OS |
| InChI | InChI=1S/C9H6OS/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H |
| InChIKey | MDYPJPPXVOPUNX-UHFFFAOYSA-N |
| Literature Reference Author | H.DUDDECK,M.KAISER |
| Literature Reference Citation | ORG.MAGN.RES.,20,55(1982) |
| Literature Reference DOI | 10.1002/mrc.1270200202 |
| Molecular Weight | 162.206 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW5469 |