| SpectraBase Compound ID | 1i2YYYxHYXh |
|---|---|
| InChI | InChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3 |
| InChIKey | OLQIKGSZDTXODA-UHFFFAOYSA-N |
| Mol Weight | 382.43 g/mol |
| Molecular Formula | C21H18O5S |
| Exact Mass | 382.087495 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DaClXbSUwny |
|---|---|
| Name | 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-m-cresol, S,S-dioxide |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H18O5S |
| InChI | InChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3 |
| InChIKey | OLQIKGSZDTXODA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27587M |
| Solvent | D2O/NaOD |