| SpectraBase Compound ID | CYehip1ojzD |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-4-6-7(5-9)11-8(2,3)10-6/h1,6-7,9H,5H2,2-3H3/t6-,7-/m1/s1 |
| InChIKey | WVBSRHKZWGFGDO-RNFRBKRXSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Im4E6BttO74 |
|---|---|
| Name | 1,2-Dideoxy-3,4-o-(1-methylethylidene)-D-threo-pent-1-ynitol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-4-6-7(5-9)11-8(2,3)10-6/h1,6-7,9H,5H2,2-3H3/t6-,7-/m1/s1 |
| InChIKey | WVBSRHKZWGFGDO-RNFRBKRXSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1(O[C@](CO)([C@](O1)(C#C)[H])[H])(C)C |