| SpectraBase Spectrum ID |
E1NXk2bhohY |
| Name |
(E)-p-{[1-Methyl-3-(p-tolylsulfonyl)propenyl)propenyl]sulfonyl}anisole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.075216087 u |
| Formula |
C18H20O5S2 |
| InChI |
InChI=1S/C18H20O5S2/c1-14-4-8-17(9-5-14)24(19,20)13-12-15(2)25(21,22)18-10-6-16(23-3)7-11-18/h4-12H,13H2,1-3H3/b15-12+ |
| InChIKey |
LROYJBGRFWPAGT-NTCAYCPXSA-N |
| Molecular Weight |
380.473 g/mol |
| SMILES |
C=1C(=CC=C(C1)C)S(=O)(=O)C\C=C/(S(=O)(=O)C=1C=CC(=CC1)OC)C |
| Spectrum/Structure Validation Score (Raman) |
0.824367 |
![(E)-p-{[1-methyl-3-(p-tolylsulfonyl)propenyl)propenyl]sulfonyl}anisole](/api/spectrum/E1NXk2bhohY/structure.png?h=300&w=458 "(E)-p-{[1-methyl-3-(p-tolylsulfonyl)propenyl)propenyl]sulfonyl}anisole")
