| SpectraBase Compound ID | 9tkY4HbXmuR |
|---|---|
| InChI | InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3 |
| InChIKey | OBRMNDMBJQTZHV-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 | DuircEn47MH |
|---|---|
| Name | 4,4'-(3H-2,1-benzoxathiol-3-ylidene)di-o-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(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21/h3-12,22-23H,1-2H3 |
| InChIKey | OBRMNDMBJQTZHV-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 25611M |
| Solvent | Polysol-d |