| SpectraBase Compound ID | InAwHo9KTwE |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
| InChIKey | ZNVISRQASUTOPO-CMDGGOBGSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HppLqDzMWyq |
|---|---|
| Name | (E)-Styryl-3-methylbutyrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b9-8+ |
| InChIKey | ZNVISRQASUTOPO-CMDGGOBGSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1(=CC=CC=C1)\C=C\OC(CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891974 |