| SpectraBase Compound ID | 44Ye4wX2pRv |
|---|---|
| InChI | InChI=1S/C16H18O4S/c1-9-5-13(6-10(2)15(9)17)21(19,20)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3 |
| InChIKey | SUCTVKDVODFXFX-UHFFFAOYSA-N |
| Mol Weight | 306.38 g/mol |
| Molecular Formula | C16H18O4S |
| Exact Mass | 306.09258 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LdsnjmCYW8n |
|---|---|
| Name | 4,4'-Sulfonyldi-2,6-xylenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.092580230 u |
| Formula | C16H18O4S |
| InChI | InChI=1S/C16H18O4S/c1-9-5-13(6-10(2)15(9)17)21(19,20)14-7-11(3)16(18)12(4)8-14/h5-8,17-18H,1-4H3 |
| InChIKey | SUCTVKDVODFXFX-UHFFFAOYSA-N |
| SMILES | OC1=C(C=C(S(C=2C=C(C(=C(C2)C)O)C)(=O)=O)C=C1C)C |
| Spectrum/Structure Validation Score (Raman) | 0.84574 |