| SpectraBase Compound ID | 84aTsqdt78E |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+ |
| InChIKey | FGJQFRNEXKYBQC-ONEGZZNKSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HyZjpZ5Jq6 |
|---|---|
| Name | 2-Butenoic acid, 4-methylphenyl ester, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-3-4-11(12)13-10-7-5-9(2)6-8-10/h3-8H,1-2H3/b4-3+ |
| InChIKey | FGJQFRNEXKYBQC-ONEGZZNKSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C)(\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891569 |