| SpectraBase Compound ID | DuYS7piNH5C |
|---|---|
| InChI | InChI=1S/C19H16O3S/c1-15-7-13-19(14-8-15)23(20,21)22-18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-14H,1H3 |
| InChIKey | CBYZELXTVBROSO-UHFFFAOYSA-N |
| Mol Weight | 324.39 g/mol |
| Molecular Formula | C19H16O3S |
| Exact Mass | 324.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3s8F4hodYrj |
|---|---|
| Name | [1,1'-Biphenyl]-4-ol, 4-methylbenzenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.082015546 u |
| Formula | C19H16O3S |
| InChI | InChI=1S/C19H16O3S/c1-15-7-13-19(14-8-15)23(20,21)22-18-11-9-17(10-12-18)16-5-3-2-4-6-16/h2-14H,1H3 |
| InChIKey | CBYZELXTVBROSO-UHFFFAOYSA-N |
| Molecular Weight | 324.394 g/mol |
| SMILES | CC1=CC=C(S(OC2=CC=C(C3=CC=CC=C3)C=C2)(=O)=O)C=C1 |