| SpectraBase Compound ID | 2zT96yKz9Jq |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3- |
| InChIKey | KADLBQXUUGTLOS-OQFOIZHKSA-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 | 2RXgcowfKo1 |
|---|---|
| Name | (Z)-but-2-en-2-yl Benzoate |
| 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/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3- |
| InChIKey | KADLBQXUUGTLOS-OQFOIZHKSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C1(=CC=CC=C1)C(=O)O\C(=C/C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931535 |