| SpectraBase Compound ID | 2zKim7hs32k |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-6(9)12-4-3-8(11)5-13-7(2)10/h8,11H,3-5H2,1-2H3/t8-/m0/s1 |
| InChIKey | FDUFKOBSVMWNQS-QMMMGPOBSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C8H14O5 |
| Exact Mass | 190.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtOt0K1A7VV |
|---|---|
| Name | (S)-1,2,4-Butanetriol 1,4-diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.084123546 u |
| Formula | C8H14O5 |
| InChI | InChI=1S/C8H14O5/c1-6(9)12-4-3-8(11)5-13-7(2)10/h8,11H,3-5H2,1-2H3/t8-/m0/s1 |
| InChIKey | FDUFKOBSVMWNQS-QMMMGPOBSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | C(=O)(OC[C@](CCOC(=O)C)(O)[H])C |