| 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 | Dz9co24cdD6 |
|---|---|
| Name | 1-THIOCOUMARIN |
| Source of Sample | I. W. Still, N. Plavac, D. M. Mckinnon Can. J. Chem. 54, 280(1976) |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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 |
| Molecular Weight | 162.21 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=305 K Spectrometer= Varian XL-100 |
| Synonyms | BENZOTHIOPYRAN-2-ONE, 2H-1-, |