| SpectraBase Compound ID | 9sUk8RI4qmi |
|---|---|
| InChI | InChI=1S/C11H14O5/c1-15-10-7-8(11(13)14)3-4-9(10)16-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3,(H,13,14) |
| InChIKey | NXPNOQJRJNEUQE-UHFFFAOYSA-N |
| Mol Weight | 226.23 g/mol |
| Molecular Formula | C11H14O5 |
| Exact Mass | 226.084124 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qTBX8ryatC |
|---|---|
| Name | 4-(3-Hydroxypropoxy)-3-methoxybenzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.084123546 u |
| Formula | C11H14O5 |
| InChI | InChI=1S/C11H14O5/c1-15-10-7-8(11(13)14)3-4-9(10)16-6-2-5-12/h3-4,7,12H,2,5-6H2,1H3,(H,13,14) |
| InChIKey | NXPNOQJRJNEUQE-UHFFFAOYSA-N |
| Molecular Weight | 226.228 g/mol |
| SMILES | C(C=1C=C(C(=CC1)OCCCO)OC)(=O)O |