| SpectraBase Compound ID | LG0vha9fgST |
|---|---|
| InChI | InChI=1S/C9H18O4/c1-7(8(10)11-4)6-13-9(2,3)12-5/h7H,6H2,1-5H3 |
| InChIKey | LGIGSEMOMNCPCU-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C9H18O4 |
| Exact Mass | 190.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7LFX5tkf8l |
|---|---|
| Name | 3-(1-Methoxy-1-methylethoxy)-2-methylpropionic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.120509056 u |
| Formula | C9H18O4 |
| InChI | InChI=1S/C9H18O4/c1-7(8(10)11-4)6-13-9(2,3)12-5/h7H,6H2,1-5H3 |
| InChIKey | LGIGSEMOMNCPCU-UHFFFAOYSA-N |
| Molecular Weight | 190.239 g/mol |
| SMILES | CC(OC)(C)OCC(C(=O)OC)C |