| SpectraBase Compound ID | 66OFCjOBOCi |
|---|---|
| InChI | InChI=1S/C17H12F2O3S/c1-13-7-10-15(11-8-13)23(20,21)22-16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3 |
| InChIKey | AALWHOCWLYDUJH-UHFFFAOYSA-N |
| Mol Weight | 334.34 g/mol |
| Molecular Formula | C17H12F2O3S |
| Exact Mass | 334.047522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnwgEGPh1Vp |
|---|---|
| Name | 1,1-Difluoro-4-phenylbut-1-en-3-yn-2-yl p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.047521743 u |
| Formula | C17H12F2O3S |
| InChI | InChI=1S/C17H12F2O3S/c1-13-7-10-15(11-8-13)23(20,21)22-16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11H,1H3 |
| InChIKey | AALWHOCWLYDUJH-UHFFFAOYSA-N |
| Molecular Weight | 334.337 g/mol |
| SMILES | C1(S(=O)(=O)OC(C#CC2=CC=CC=C2)=C(F)F)=CC=C(C=C1)C |