| SpectraBase Compound ID | IbnGfD2alkQ |
|---|---|
| InChI | InChI=1S/C7H14O3/c1-6(2)4-10-5-7(8)9-3/h6H,4-5H2,1-3H3 |
| InChIKey | DIKUIGYOBQUFGP-UHFFFAOYSA-N |
| Mol Weight | 146.19 g/mol |
| Molecular Formula | C7H14O3 |
| Exact Mass | 146.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnuDWhqVXEe |
|---|---|
| Name | Isobutoxyacetic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.094294308 u |
| Formula | C7H14O3 |
| InChI | InChI=1S/C7H14O3/c1-6(2)4-10-5-7(8)9-3/h6H,4-5H2,1-3H3 |
| InChIKey | DIKUIGYOBQUFGP-UHFFFAOYSA-N |
| Molecular Weight | 146.186 g/mol |
| SMILES | CC(COCC(OC)=O)C |