| SpectraBase Compound ID | 8TUXWaj7bES |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-7(10)12-5-9(3,4)6-13-8(2)11/h5-6H2,1-4H3 |
| InChIKey | ZFFGZCTVZNNVLP-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 | 4OyxyYmrjLK |
|---|---|
| Name | Acetic acid, 2,2-dimethyl-1,3-propanediol diester |
| 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/c1-7(10)12-5-9(3,4)6-13-8(2)11/h5-6H2,1-4H3 |
| InChIKey | ZFFGZCTVZNNVLP-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| Nominal Mass | 188 u |
| SMILES | C(OC(C)=O)C(COC(C)=O)(C)C |