| SpectraBase Compound ID | 3nBC9jtdNK6 |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | RZJSUWQGFCHNFS-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A3RYRko5C4h |
|---|---|
| Name | 2-(Isobutoxycarbonyl)benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-8(2)7-16-12(15)10-6-4-3-5-9(10)11(13)14/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChIKey | RZJSUWQGFCHNFS-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C1=CC(=C(C=C1)C(=O)OCC(C)C)C(=O)O |