| SpectraBase Compound ID | 2kD2vLONPll |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-3-9-14-12(13)11-7-5-10(4-2)6-8-11/h3,5-8H,1,4,9H2,2H3 |
| InChIKey | ZZJNAHIMEGHSJQ-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 | AdTY9XmSOsP |
|---|---|
| Name | 4-Ethylbenzoic acid, allyl 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/c1-3-9-14-12(13)11-7-5-10(4-2)6-8-11/h3,5-8H,1,4,9H2,2H3 |
| InChIKey | ZZJNAHIMEGHSJQ-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(OC(C=1C=CC(CC)=CC1)=O)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.821666 |