| SpectraBase Spectrum ID |
3dPI840CLCu |
| Name |
Methyl (E)-2,2-dibenzyl-5-phenyl-4-tosyl-3-pentenoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
524.202130680 u |
| Formula |
C33H32O4S |
| InChI |
InChI=1S/C33H32O4S/c1-26-18-20-30(21-19-26)38(35,36)31(22-27-12-6-3-7-13-27)25-33(32(34)37-2,23-28-14-8-4-9-15-28)24-29-16-10-5-11-17-29/h3-21,25H,22-24H2,1-2H3/b31-25+ |
| InChIKey |
MHOAZUATYSOLQB-QCKNELIISA-N |
| Molecular Weight |
524.675 g/mol |
| SMILES |
C(\C=C/(S(C=1C=CC(=CC1)C)(=O)=O)CC=1C=CC=CC1)(C(=O)OC)(CC1=CC=CC=C1)CC=1C=CC=CC1 |
