| SpectraBase Compound ID | 6aPRoBf9ehf |
|---|---|
| InChI | InChI=1S/C9H8O2S/c10-8-5-6-12(11)9-4-2-1-3-7(8)9/h1-4H,5-6H2 |
| InChIKey | YWWKXKQNHSMQCR-UHFFFAOYSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C9H8O2S |
| Exact Mass | 180.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3c41fZBevPM |
|---|---|
| Name | THIOCHROMAN-4-ONE, 1-OXIDE |
| Source of Sample | M. S. Chauhan, I. W. Still Can. J. Chem. 53, 2880(1975) |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H8O2S |
| InChI | InChI=1S/C9H8O2S/c10-8-5-6-12(11)9-4-2-1-3-7(8)9/h1-4H,5-6H2 |
| InChIKey | YWWKXKQNHSMQCR-UHFFFAOYSA-N |
| Molecular Weight | 180.23 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100 |