| SpectraBase Compound ID | CJcU47zHquu |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9-5-7-10(8-6-9)12(13)14-11-3-2-4-11/h5-8,11H,2-4H2,1H3 |
| InChIKey | WXWIVLGAADZEIV-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4j3ix6XsZz3 |
|---|---|
| Name | p-Toluic acid, cyclobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-9-5-7-10(8-6-9)12(13)14-11-3-2-4-11/h5-8,11H,2-4H2,1H3 |
| InChIKey | WXWIVLGAADZEIV-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(OC1CCC1)(=O)C=1C=CC(C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941608 |