| SpectraBase Compound ID | BPiwaNlAtgv |
|---|---|
| InChI | InChI=1S/C8H14O4/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-10H,1-2H3/t5-,6+,7-,8-/m0/s1 |
| InChIKey | QZTQRWOKEFHYPS-YWIQKCBGSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNcBfoBz5iC |
|---|---|
| Name | (1S,2R,3R,4R)-(-)-2,3-dihydroxy-1,4-dimethoxycyclohex-5-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.089208927 u |
| Formula | C8H14O4 |
| InChI | InChI=1S/C8H14O4/c1-11-5-3-4-6(12-2)8(10)7(5)9/h3-10H,1-2H3/t5-,6+,7-,8-/m0/s1 |
| InChIKey | QZTQRWOKEFHYPS-YWIQKCBGSA-N |
| Molecular Weight | 174.196 g/mol |
| SMILES | [C@@]1([C@]([C@](OC)(C=C[C@@]1(OC)[H])[H])(O)[H])(O)[H] |