| SpectraBase Compound ID | Edmiz5lIZpe |
|---|---|
| InChI | InChI=1S/C6H12O4/c1-5(8)10-3-2-6(9)4-7/h6-7,9H,2-4H2,1H3 |
| InChIKey | RYBXYKIHANPAPY-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C6H12O4 |
| Exact Mass | 148.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2j8d8wA0yQY |
|---|---|
| Name | (S)-(-)-1,2,4-butanetriol, 4-acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.073558862 u |
| Formula | C6H12O4 |
| InChI | InChI=1S/C6H12O4/c1-5(8)10-3-2-6(9)4-7/h6-7,9H,2-4H2,1H3 |
| InChIKey | RYBXYKIHANPAPY-UHFFFAOYSA-N |
| SMILES | C(O)C(CCOC(C)=O)O |