| SpectraBase Compound ID | KNBKy87bcVs |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+ |
| InChIKey | TXSXJLMEOQAASX-QHHAFSJGSA-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 | JeffJo82JoJ |
|---|---|
| Name | Crotonic acid, phenyl ester |
| 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/c1-2-6-10(11)12-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+ |
| InChIKey | TXSXJLMEOQAASX-QHHAFSJGSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C=1C(=CC=CC1)OC(\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.912007 |