| SpectraBase Compound ID | 62LZN0Zk3xS |
|---|---|
| InChI | InChI=1S/C19H22O5S/c1-14-9-11-16(12-10-14)25(21,22)17(13-18(23-2)24-3)19(20)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3 |
| InChIKey | VESOVMNWKKDNRJ-UHFFFAOYSA-N |
| Mol Weight | 362.44 g/mol |
| Molecular Formula | C19H22O5S |
| Exact Mass | 362.118795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WqIkm7KVzx |
|---|---|
| Name | 4,4-Dimethoxy-1-phenyl-2-tosyl-1-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.118794977 u |
| Formula | C19H22O5S |
| InChI | InChI=1S/C19H22O5S/c1-14-9-11-16(12-10-14)25(21,22)17(13-18(23-2)24-3)19(20)15-7-5-4-6-8-15/h4-12,17-18H,13H2,1-3H3 |
| InChIKey | VESOVMNWKKDNRJ-UHFFFAOYSA-N |
| Molecular Weight | 362.440 g/mol |
| SMILES | C(S(C1=CC=C(C=C1)C)(=O)=O)(C(=O)C1=CC=CC=C1)CC(OC)OC |