| SpectraBase Compound ID | HWNUqYnn7Xc |
|---|---|
| InChI | InChI=1S/C8H18O2S/c1-4-8(3,11)7(10)5-6(2)9/h6-7,9-11H,4-5H2,1-3H3/t6-,7-,8+/m0/s1 |
| InChIKey | BVQAUXCRFDOCKW-BIIVOSGPSA-N |
| Mol Weight | 178.29 g/mol |
| Molecular Formula | C8H18O2S |
| Exact Mass | 178.102751 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | iXboCCCgFE |
|---|---|
| Name | anti,syn(2SR,4SR,5RS)-5-methyl-5-(sulfanyl)heptane-2,4-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H18O2S |
| InChI | InChI=1S/C8H18O2S/c1-4-8(3,11)7(10)5-6(2)9/h6-7,9-11H,4-5H2,1-3H3/t6-,7-,8+/m0/s1 |
| InChIKey | BVQAUXCRFDOCKW-BIIVOSGPSA-N |
| Molecular Weight | 178.290 g/mol |
| SMILES | O[C@](C[C@@]([C@](S)(CC)C)(O)[H])(C)[H] |
| SPLASH | splash10-004i-9800000000-3e7321d9346b8c7f1da8 |
| Source of Spectrum | K-2002-2286-30 |
| Wiley ID | 1613168 |