| SpectraBase Spectrum ID |
CWe4dgf1vIF |
| Name |
8-(acetylthio)caprylic acid methyl ester |
| CAS Registry Number |
1069-12-1 |
| Comments |
Note: The molecular formula of the structure shown is C11H20O3S - which differs from the formula reported for the mass spectrum (C11H19DO3S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H19DO3S |
| InChI |
InChI=1S/C11H20O3S/c1-10(12)15-9-7-5-3-4-6-8-11(13)14-2/h3-9H2,1-2H3 |
| InChIKey |
MWGIDRDXYJCVPA-UHFFFAOYSA-N |
| Molecular Weight |
232.338 g/mol |
| SMILES |
CC(=O)SCCCCCCCC(=O)OC |
| SPLASH |
splash10-0006-9400000000-3c9a72b490c003f89076 |
| Synonyms |
8-(acetylthio)octanoic acid methyl ester
Methyl 8-acetylsulfanyloctanoate
Methyl 8-ethanoylsulfanyloctanoate |
| Wiley ID |
1486457 |
