| SpectraBase Spectrum ID |
1c5I2xi2mmE |
| Name |
(4S,5R)-4-(ethylthio)carbonyl-5-hydroxy-6-methyl-enanthic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H24O4S |
| InChI |
InChI=1S/C13H24O4S/c1-5-17-11(14)8-7-10(12(15)9(3)4)13(16)18-6-2/h9-10,12,15H,5-8H2,1-4H3/t10-,12+/m0/s1 |
| InChIKey |
SCFBHXBKZVZFAY-CMPLNLGQSA-N |
| Molecular Weight |
276.391 g/mol |
| SMILES |
O[C@@]([C@@](C(=O)SCC)(CCC(=O)OCC)[H])(C(C)C)[H] |
| SPLASH |
splash10-066s-9720000000-e5756f845e59fecae52c |
| Source of Spectrum |
KC-0-3624-3 |
| Synonyms |
(4S,5R)-4-[(ethylthio)-oxomethyl]-5-hydroxy-6-methylheptanoic acid ethyl ester
Ethyl (4S,5R)-4-ethylsulfanylcarbonyl-6-methyl-5-oxidanyl-heptanoate
Ethyl (4S,5R)-4-ethylsulfanylcarbonyl-5-hydroxy-6-methylheptanoate |
| Wiley ID |
831918 |
