| SpectraBase Compound ID | IfqTcH0uxgH |
|---|---|
| InChI | InChI=1S/C11H10O3/c1-2-5-11(13)14-10-7-4-3-6-9(10)8-12/h2-8H,1H3/b5-2+ |
| InChIKey | MOUQACBLSHRVJO-GORDUTHDSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C11H10O3 |
| Exact Mass | 190.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bv1rm1TrsBg |
|---|---|
| Name | Crotonic acid, o-formylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.062994179 u |
| Formula | C11H10O3 |
| InChI | InChI=1S/C11H10O3/c1-2-5-11(13)14-10-7-4-3-6-9(10)8-12/h2-8H,1H3/b5-2+ |
| InChIKey | MOUQACBLSHRVJO-GORDUTHDSA-N |
| Molecular Weight | 190.198 g/mol |
| SMILES | C(=O)C1=CC=CC=C1OC(\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977488 |