| SpectraBase Compound ID | 3EhmaOtk978 |
|---|---|
| InChI | InChI=1S/C12H14O2/c13-12(14-11-7-4-8-11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | CYURJCYRYDRCEF-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 | KtSbJPIwfaR |
|---|---|
| Name | Phenylacetic 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/c13-12(14-11-7-4-8-11)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2 |
| InChIKey | CYURJCYRYDRCEF-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1=CC=C(C=C1)CC(OC1CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968234 |