| SpectraBase Compound ID | J1pYO11iuFJ |
|---|---|
| InChI | InChI=1S/C11H18O4S/c1-7-4-9-5-8(2)15-16(13,14)11(9,3)6-10(7)12/h4,7-8,10,12H,5-6H2,1-3H3/t7-,8-,10+,11-/m1/s1 |
| InChIKey | CENBHRCZDZIWBU-DEKFOEGESA-N |
| Mol Weight | 246.32 g/mol |
| Molecular Formula | C11H18O4S |
| Exact Mass | 246.09258 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZYvZ8bWlbn |
|---|---|
| Name | (1R*,3S*,4R*,2'R*)-3-Hydroxy-1,4-dimethyl-6-propyl-5-cyclohexene-1,2'-sultone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H18O4S |
| InChI | InChI=1S/C11H18O4S/c1-7-4-9-5-8(2)15-16(13,14)11(9,3)6-10(7)12/h4,7-8,10,12H,5-6H2,1-3H3/t7-,8-,10+,11-/m1/s1 |
| InChIKey | CENBHRCZDZIWBU-DEKFOEGESA-N |
| Molecular Weight | 246.321 g/mol |
| SMILES | O[C@]1(C[C@]2(S(O[C@@](CC2=C[C@]1(C)[H])(C)[H])(=O)=O)C)[H] |
| SPLASH | splash10-000i-0910000000-39723c656eb9fbf20580 |
| Source of Spectrum | J-59-3688-5 |
| Synonyms | (3R,6R,7S,8aR)-1,1-diketo-3,6,8a-trimethyl-4,6,7,8-tetrahydro-3H-2,1-benzoxathiin-7-ol (3R,6R,7S,8aR)-3,6,8a-trimethyl-1,1-bis(oxidanylidene)-4,6,7,8-tetrahydro-3H-2,1-benzoxathiin-7-ol (3R,6R,7S,8aR)-3,6,8a-trimethyl-1,1-dioxo-4,6,7,8-tetrahydro-3H-2,1-benzoxathiin-7-ol (3R,6R,7S,8aR)-3,6,8a-trimethyl-3,4,6,7,8,8a-hexahydro-2,1-benzoxathiin-7-ol 1,1-dioxide (3R,6R,7S,8aR)-3,6,8a-trimethyl-1,1-dioxo-4,6,7,8-tetrahydro-3H-2,1$l^{6}-benzoxathiin-7-ol (3R,6R,7S,8aR)-3,6,8a-trimethyl-1,1-bis(oxidanylidene)-4,6,7,8-tetrahydro-3H-2,1$l^{6}-benzoxathiin-7-ol |
| Wiley ID | 1248546 |