| SpectraBase Compound ID | 1gTwGVZO52C |
|---|---|
| InChI | InChI=1S/C7H14OS/c1-4-5(2)7(9)6(3)8/h5,7,9H,4H2,1-3H3 |
| InChIKey | JWMDAOZVXXCQCN-UHFFFAOYSA-N |
| Mol Weight | 146.25 g/mol |
| Molecular Formula | C7H14OS |
| Exact Mass | 146.076536 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3E2z2GCRsOn |
|---|---|
| Name | 3-mercapto-4-methyl-2-hexanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H14OS |
| InChI | InChI=1S/C7H14OS/c1-4-5(2)7(9)6(3)8/h5,7,9H,4H2,1-3H3 |
| InChIKey | JWMDAOZVXXCQCN-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 146.248 g/mol |
| SMILES | SC(C(C)=O)C(CC)C |
| SPLASH | splash10-0006-9000000000-170a24bf64aa09e56289 |
| Sample Comments | diastereomeric mixture |
| Source of Spectrum | JP5261185B2 |
| Wiley ID | 1852370 |