| SpectraBase Compound ID | 5iG3fZ4JkqM |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3 |
| InChIKey | XAOVNTXDHGDNBG-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6gNV4VdlL54 |
|---|---|
| Name | Benzoic acid, 3-hydroxy-, tert.-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-11(2,3)14-10(13)8-5-4-6-9(12)7-8/h4-7,12H,1-3H3 |
| InChIKey | XAOVNTXDHGDNBG-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C1=C(C=CC=C1C(OC(C)(C)C)=O)O |