| SpectraBase Compound ID | J2A9r0Ag5KP |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-5-8(6-7(2)3)9(10)11-4/h6-7H,5H2,1-4H3/b8-6+ |
| InChIKey | UUBGGHKRCUMMSD-SOFGYWHQSA-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 | BmCsbKSfKgI |
|---|---|
| Name | 2-Pentenoic acid, 2-ethyl-4-methyl-, methyl ester, (E)- |
| 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(6-7(2)3)9(10)11-4/h6-7H,5H2,1-4H3/b8-6+ |
| InChIKey | UUBGGHKRCUMMSD-SOFGYWHQSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(\C(=C\C(C)C)CC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963189 |