| SpectraBase Compound ID | AAeFh88Me4k |
|---|---|
| InChI | InChI=1S/C9H18O3S/c1-9(2)11-6-8(12-9)4-5-10-7-13-3/h8H,4-7H2,1-3H3/t8-/m1/s1 |
| InChIKey | FXZKWNWIFWQMSQ-MRVPVSSYSA-N |
| Mol Weight | 206.3 g/mol |
| Molecular Formula | C9H18O3S |
| Exact Mass | 206.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bblng5EWmbK |
|---|---|
| Name | (R)-1,2-o-Isopropylidene-4-o-(methylthiomethyl)butane-1,2,4-triol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.097665611 u |
| Formula | C9H18O3S |
| InChI | InChI=1S/C9H18O3S/c1-9(2)11-6-8(12-9)4-5-10-7-13-3/h8H,4-7H2,1-3H3/t8-/m1/s1 |
| InChIKey | FXZKWNWIFWQMSQ-MRVPVSSYSA-N |
| Molecular Weight | 206.300 g/mol |
| SMILES | C1(O[C@](CCOCSC)(CO1)[H])(C)C |