| SpectraBase Spectrum ID |
7jysgW8SsjB |
| Name |
(5R,6S)-6-tert-Butylthio-5-hydroxy-3-oxo-7-(2,4-dichlorophenyl)heptanoic acid methyl ester |
| Alternate Name(s) |
Methyl (5R,6S)-6-(tert-butylsulfanyl)-7-(2,4-dichlorophenyl)-5-hydroxy-3-oxoheptanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H24Cl2O4S |
| InChI |
InChI=1S/C18H24Cl2O4S/c1-18(2,3)25-16(7-11-5-6-12(19)8-14(11)20)15(22)9-13(21)10-17(23)24-4/h5-6,8,15-16,22H,7,9-10H2,1-4H3/t15-,16+/m1/s1 |
| InChIKey |
MDTJYDAELVCMBJ-CVEARBPZSA-N |
| Molecular Weight |
407.352 g/mol |
| SMILES |
O[C@](CC(CC(=O)OC)=O)([C@@](SC(C)(C)C)(Cc1c(cc(cc1)Cl)Cl)[H])[H] |
| SPLASH |
splash10-0a4i-9621000000-d0cfefb702106382aa5c |
| Source of Spectrum |
F-52-2905-5 |
| Wiley ID |
795445 |
