| SpectraBase Spectrum ID |
3mhUMvfrUKo |
| Name |
6-Acetoxy-2-(4-tolylsulfonyl)-4-hexenoic acid methyl ester |
| Alternate Name(s) |
Methyl (4E)-6-(acetyloxy)-2-[(4-methylphenyl)sulfonyl]-4-hexenoate |
| CAS Registry Number |
113558-61-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O6S |
| InChI |
InChI=1S/C16H20O6S/c1-12-7-9-14(10-8-12)23(19,20)15(16(18)21-3)6-4-5-11-22-13(2)17/h4-5,7-10,15H,6,11H2,1-3H3/b5-4+ |
| InChIKey |
SOMDXDMCUXQLRO-SNAWJCMRSA-N |
| Molecular Weight |
340.390 g/mol |
| SMILES |
C(S(c1ccc(cc1)C)(=O)=O)(C(=O)OC)C\C=C\COC(=O)C |
| SPLASH |
splash10-001u-0900000000-7dbeae2489e3d488d8b2 |
| Source of Spectrum |
AJ-60-3432-10 |
| Wiley ID |
1334929 |
