| SpectraBase Compound ID | I4Dx9zZSbXc |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-2-10-6-8-11(9-7-10)13(14)15-12-4-3-5-12/h6-9,12H,2-5H2,1H3 |
| InChIKey | LZFCLOXJWLIITN-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GFAXgc5nAGX |
|---|---|
| Name | 4-Ethylbenzoic acid, cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-2-10-6-8-11(9-7-10)13(14)15-12-4-3-5-12/h6-9,12H,2-5H2,1H3 |
| InChIKey | LZFCLOXJWLIITN-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C(OC1CCC1)(=O)C1=CC=C(CC)C=C1 |