| SpectraBase Compound ID | KAaCuNi4rAN |
|---|---|
| InChI | InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h5-6,8H,2-4H2,1H3 |
| InChIKey | MMODARXIJRCRGL-UHFFFAOYSA-N |
| Mol Weight | 132.22 g/mol |
| Molecular Formula | C6H12OS |
| Exact Mass | 132.060886 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HxHturF1Bnb |
|---|---|
| Name | Hexanal, 3-mercapto- |
| Alternate Name(s) | 3-Mercaptohexanal 3-Sulfanylhexanal |
| CAS Registry Number | 51755-72-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12OS |
| InChI | InChI=1S/C6H12OS/c1-2-3-6(8)4-5-7/h5-6,8H,2-4H2,1H3 |
| InChIKey | MMODARXIJRCRGL-UHFFFAOYSA-N |
| Molecular Weight | 132.221 g/mol |
| SMILES | SC(CC=O)CCC |
| SPLASH | splash10-054o-9000000000-df9bc89771e6c0727715 |
| Source of Spectrum | H-59-1620-4 |
| Wiley ID | 1133663 |