| SpectraBase Compound ID | CEywoR52RX2 |
|---|---|
| InChI | InChI=1S/C9H18O3/c1-7(2)8(11)12-6-9(3,4)5-10/h7,10H,5-6H2,1-4H3 |
| InChIKey | HNWHVVWRJAXEEC-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C9H18O3 |
| Exact Mass | 174.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CgOndY943ew |
|---|---|
| Name | (2,2-Dimethyl-3-oxidanyl-propyl) 2-methylpropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.125594437 u |
| Formula | C9H18O3 |
| InChI | InChI=1S/C9H18O3/c1-7(2)8(11)12-6-9(3,4)5-10/h7,10H,5-6H2,1-4H3 |
| InChIKey | HNWHVVWRJAXEEC-UHFFFAOYSA-N |
| Molecular Weight | 174.240 g/mol |
| SMILES | C(OCC(CO)(C)C)(=O)C(C)C |