| SpectraBase Compound ID | HMDBuZcrvpS |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3 |
| InChIKey | OJNXPAPLAAGFBJ-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9ORj4uokh9N |
|---|---|
| Name | (4-Methylphenyl) prop-2-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.068079560 u |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c1-3-10(11)12-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3 |
| InChIKey | OJNXPAPLAAGFBJ-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C(C=C)(OC=1C=CC(=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892561 |