| SpectraBase Compound ID | E6iOVMLGGmm |
|---|---|
| InChI | InChI=1S/C10H14O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h5-6H,1-4H3 |
| InChIKey | YQEIMEGRSTXEMX-UHFFFAOYSA-N |
| Mol Weight | 182.22 g/mol |
| Molecular Formula | C10H14O3 |
| Exact Mass | 182.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Enymf6ezfli |
|---|---|
| Name | 3-Methyl-2-butenoic acid (3-methyl-1-oxobut-2-enyl) ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.094294308 u |
| Formula | C10H14O3 |
| InChI | InChI=1S/C10H14O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h5-6H,1-4H3 |
| InChIKey | YQEIMEGRSTXEMX-UHFFFAOYSA-N |
| Molecular Weight | 182.219 g/mol |
| SMILES | CC(=CC(OC(C=C(C)C)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857691 |