| SpectraBase Spectrum ID |
9pghWaXToEn |
| Name |
4,4'-(2-Butynylenedisulfonyl)dianisole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Raman) |
0.884622 |
