| SpectraBase Compound ID | CEBOYuPBMvY |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-9(12(13)14)7-8-16-11-5-3-10(15-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChIKey | RMKTUNXQTWJSJU-UHFFFAOYSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5So6iOe2Hmy |
|---|---|
| Name | 4-(4-Methoxyphenoxy)-2-methyl-butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.104858991 u |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-9(12(13)14)7-8-16-11-5-3-10(15-2)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChIKey | RMKTUNXQTWJSJU-UHFFFAOYSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | C(=O)(C(CCOC=1C=CC(=CC1)OC)C)O |