| SpectraBase Compound ID | DEzmSXVsEwt |
|---|---|
| InChI | InChI=1S/C10H10O2S/c1-7-6-13(12)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3 |
| InChIKey | LGEMGPGNKMFLDE-UHFFFAOYSA-N |
| Mol Weight | 194.25 g/mol |
| Molecular Formula | C10H10O2S |
| Exact Mass | 194.040151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13PDMSfPHmC |
|---|---|
| Name | 3-METHYLTHIOCHROMAN-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 | C10H10O2S |
| InChI | InChI=1S/C10H10O2S/c1-7-6-13(12)9-5-3-2-4-8(9)10(7)11/h2-5,7H,6H2,1H3 |
| InChIKey | LGEMGPGNKMFLDE-UHFFFAOYSA-N |
| Molecular Weight | 194.25 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100 |