| SpectraBase Compound ID | buYFBBOzBg |
|---|---|
| InChI | InChI=1S/C14H10ClNO3S/c15-12-3-7-14(8-4-12)20(17,18)19-13-5-1-11(2-6-13)9-10-16/h1-8H,9H2 |
| InChIKey | FLIVICHXTJBXLR-UHFFFAOYSA-N |
| Mol Weight | 307.75 g/mol |
| Molecular Formula | C14H10ClNO3S |
| Exact Mass | 307.006992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhIZeXbSDxw |
|---|---|
| Name | (p-Hydroxyphenyl)acetonitrile, p-chlorobenzenesulfonate (ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.006992057 u |
| Formula | C14H10ClNO3S |
| InChI | InChI=1S/C14H10ClNO3S/c15-12-3-7-14(8-4-12)20(17,18)19-13-5-1-11(2-6-13)9-10-16/h1-8H,9H2 |
| InChIKey | FLIVICHXTJBXLR-UHFFFAOYSA-N |
| Molecular Weight | 307.751 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)S(=O)(=O)OC=1C=CC(=CC1)CC#N |