| SpectraBase Compound ID | HE5aEi5NFfD |
|---|---|
| InChI | InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4,6-9,11-12H,2H2/t4-,6?,7?/m0/s1 |
| InChIKey | DEJZWTDEKQRWLD-ISGODVSSSA-N |
| Mol Weight | 174.15 g/mol |
| Molecular Formula | C7H10O5 |
| Exact Mass | 174.052823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DK5nX2ZWlJF |
|---|---|
| Name | Gabosine E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.052823417 u |
| Formula | C7H10O5 |
| InChI | InChI=1S/C7H10O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4,6-9,11-12H,2H2/t4-,6?,7?/m0/s1 |
| InChIKey | DEJZWTDEKQRWLD-ISGODVSSSA-N |
| SMILES | C1(C(=C[C@@](C(C1O)O)(O)[H])CO)=O |