| SpectraBase Compound ID | 6O8WSBtBCe7 |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-4-13-8(12)9(2,3)7(11)5-6-10/h10H,4-6H2,1-3H3 |
| InChIKey | GVXALQXDPGTDNO-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4Fcb7clGrN |
|---|---|
| Name | 5-Hydroxy-2,2-dimethyl-3-oxopentanoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-4-13-8(12)9(2,3)7(11)5-6-10/h10H,4-6H2,1-3H3 |
| InChIKey | GVXALQXDPGTDNO-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)CCO)(C)C |