| SpectraBase Compound ID | KESiTXiKfAl |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-8(7(3)4)9(10)11-6-2/h5,7H,6H2,1-4H3/b8-5- |
| InChIKey | YFDXQUZIAWYOTA-YVMONPNESA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1UKfAXk8UFd |
|---|---|
| Name | (Z)-2-Isopropylbut-2-enoic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-5-8(7(3)4)9(10)11-6-2/h5,7H,6H2,1-4H3/b8-5- |
| InChIKey | YFDXQUZIAWYOTA-YVMONPNESA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(\C(=C/C)C(C)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971064 |