| SpectraBase Spectrum ID |
9iqufT0LcNE |
| Name |
Heptanoic acid, 6-methyl-3-[(4-methylphenyl)sulfonyl]-4-oxo-, ethyl ester |
| CAS Registry Number |
124455-44-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H24O5S |
| InChI |
InChI=1S/C17H24O5S/c1-5-22-17(19)11-16(15(18)10-12(2)3)23(20,21)14-8-6-13(4)7-9-14/h6-9,12,16H,5,10-11H2,1-4H3 |
| InChIKey |
AOVWZVXSWLSBQO-UHFFFAOYSA-N |
| Molecular Weight |
340.434 g/mol |
| SMILES |
C(S(c1ccc(cc1)C)(=O)=O)(C(CC(C)C)=O)CC(=O)OCC |
| SPLASH |
splash10-052r-9430000000-f8a25fc4b5e6da0343f7 |
| Source of Spectrum |
KC-1989-1390-10 |
| Synonyms |
Ethyl 6-methyl-3-[(4-methylphenyl)sulfonyl]-4-oxoheptanoate
Ethyl 6-methyl-4-oxo-3-tosylheptanoate |
| Wiley ID |
1335010 |
