| SpectraBase Compound ID | BjgrBkFAKw4 |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-5-7-10(4,8(3)11)9(12)13-6-2/h5H,1,6-7H2,2-4H3 |
| InChIKey | VBAZTDQXLNSBOH-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6TkF3V8UkiB |
|---|---|
| Name | 2-Acetyl-2-methyl-4-pentenoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-5-7-10(4,8(3)11)9(12)13-6-2/h5H,1,6-7H2,2-4H3 |
| InChIKey | VBAZTDQXLNSBOH-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)C)(CC=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97327 |