| SpectraBase Spectrum ID |
yyIkr9IbHk |
| Name |
Octanethioic acid S-methyl ester |
| CAS Registry Number |
2432-83-9 |
| Comments |
Note: The molecular formula of the structure shown is C9H18OS - which differs from the formula reported for the mass spectrum (C9H18Os) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H18Os |
| InChI |
InChI=1S/C9H18OS/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3 |
| InChIKey |
UKPKZMMTLNIPKR-UHFFFAOYSA-N |
| Molecular Weight |
174.302 g/mol |
| SMILES |
C(=O)(SC)CCCCCCC |
| SPLASH |
splash10-0a4i-9500000000-94b30796326221127755 |
| Source of Spectrum |
F9-1989-2154-0 |
| Synonyms |
Octanethioic acid, S-methyl ester
S-Methyl octanethioate
S-Methyl thiooctanoate |
| Wiley ID |
1566099 |
