| SpectraBase Compound ID | 9xaNzNwAVOG |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h4-7H,1-3H3,(H,13,14) |
| InChIKey | ILBDCOLCHNVWNS-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 | 2OzM5bU5Kzp |
|---|---|
| Name | 4-(Tert-butoxycarbonyl)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/c1-12(2,3)16-11(15)9-6-4-8(5-7-9)10(13)14/h4-7H,1-3H3,(H,13,14) |
| InChIKey | ILBDCOLCHNVWNS-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(=O)O)(C)(C)C |