| SpectraBase Compound ID | Ko3snsoBqol |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-6(10)12-8(9(3,4)5)13-7(2)11/h8H,1-5H3 |
| InChIKey | PLEQEEMLVNMKFO-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 | A7yiW5e5smP |
|---|---|
| Name | Neopentane-1,1-diol diacetate |
| 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/c1-6(10)12-8(9(3,4)5)13-7(2)11/h8H,1-5H3 |
| InChIKey | PLEQEEMLVNMKFO-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | C(OC(=O)C)(OC(=O)C)C(C)(C)C |