| SpectraBase Compound ID | 9VlroanHKk1 |
|---|---|
| InChI | InChI=1S/C13H24OS2/c1-7-8-10(12(15)16-6)11(14)9(2)13(3,4)5/h7,9-11,14H,1,8H2,2-6H3/t9-,10+,11-/m0/s1 |
| InChIKey | IILQFHFTJRECDX-AXFHLTTASA-N |
| Mol Weight | 260.45 g/mol |
| Molecular Formula | C13H24OS2 |
| Exact Mass | 260.126858 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1NEbCdgBegB |
|---|---|
| Name | Methyl 2-allyl-3-hydroxy-4,5,5-trimethylhexanedithioate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H24OS2 |
| InChI | InChI=1S/C13H24OS2/c1-7-8-10(12(15)16-6)11(14)9(2)13(3,4)5/h7,9-11,14H,1,8H2,2-6H3/t9-,10+,11-/m0/s1 |
| InChIKey | IILQFHFTJRECDX-AXFHLTTASA-N |
| Molecular Weight | 260.454 g/mol |
| SMILES | O[C@]([C@](C(=S)SC)(CC=C)[H])([C@@](C(C)(C)C)(C)[H])[H] |
| SPLASH | splash10-0002-9300000000-edb617a56cac08fcd6b1 |
| Source of Spectrum | F-48-4143-17 |
| Synonyms | (2R,3S,4R)-Methyl 2-allyl-3-hydroxy-4,5,5-trimethylhexanedithioate Methyl 2-(1-hydroxy-2,3,3-trimethylbutyl)-4-pentenedithioate (2R,3S,4R)-3-hydroxy-4,5,5-trimethyl-2-prop-2-enylhexanedithioic acid methyl ester Methyl (2R,3S,4R)-3-hydroxy-4,5,5-trimethyl-2-prop-2-enylhexanedithioate Methyl (2R,3S,4R)-2-allyl-3-hydroxy-4,5,5-trimethyl-hexanedithioate Methyl (2R,3S,4R)-4,5,5-trimethyl-3-oxidanyl-2-prop-2-enyl-hexanedithioate |
| Wiley ID | 1263523 |