| SpectraBase Compound ID | ANOAx8TSbhj |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-3-5(7)4-6(8)9-2/h5,7H,3-4H2,1-2H3 |
| InChIKey | XHFXKKFVUDJSPJ-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aA9HFql8bw |
|---|---|
| Name | Pentanoic acid, 3-hydroxy-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-3-5(7)4-6(8)9-2/h5,7H,3-4H2,1-2H3 |
| InChIKey | XHFXKKFVUDJSPJ-UHFFFAOYSA-N |
| SMILES | C(C(CC)O)C(OC)=O |