| SpectraBase Compound ID | I7gjwJG1sF7 |
|---|---|
| InChI | InChI=1S/C18H18O6S2/c1-23-15-5-9-17(10-6-15)25(19,20)13-3-4-14-26(21,22)18-11-7-16(24-2)8-12-18/h5-12H,13-14H2,1-2H3 |
| InChIKey | MXJOJNVMBSOYPO-UHFFFAOYSA-N |
| Mol Weight | 394.46 g/mol |
| Molecular Formula | C18H18O6S2 |
| Exact Mass | 394.054481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8hlwP33J9eS |
|---|---|
| Name | 4,4'-(2-Butynylenedisulfonyl)dianisole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.054480642 u |
| Formula | C18H18O6S2 |
| InChI | InChI=1S/C18H18O6S2/c1-23-15-5-9-17(10-6-15)25(19,20)13-3-4-14-26(21,22)18-11-7-16(24-2)8-12-18/h5-12H,13-14H2,1-2H3 |
| InChIKey | MXJOJNVMBSOYPO-UHFFFAOYSA-N |
| Molecular Weight | 394.456 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)S(=O)(=O)CC#CCS(=O)(=O)C=1C=CC(=CC1)OC |