| SpectraBase Compound ID | G40lcgQVrGY |
|---|---|
| InChI | InChI=1S/C7H14O2S/c1-10-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | IXKKFBLONLRKMR-UHFFFAOYSA-N |
| Mol Weight | 162.25 g/mol |
| Molecular Formula | C7H14O2S |
| Exact Mass | 162.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4IZUMMB6hE0 |
|---|---|
| Name | 6-(METHYLTHIO)-HEXCANOIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H14O2S |
| InChI | InChI=1S/C7H14O2S/c1-10-6-4-2-3-5-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChIKey | IXKKFBLONLRKMR-UHFFFAOYSA-N |
| Literature Reference Author | Y.LIU,J.C.VEDERAS |
| Literature Reference Citation | J.ORG.CHEM.,61,7856(1996) |
| Literature Reference DOI | 10.1021/jo961438d |
| Molecular Weight | 162.247 g/mol |
| Solvent | CD2Cl2 |