| SpectraBase Compound ID | D4ySjVVYai7 |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-4-6-7-9-13-11(12)10(3)8-5-2/h5,10H,2,4,6-9H2,1,3H3 |
| InChIKey | SEJDYFKTCPTWBP-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GvF97D46KFe |
|---|---|
| Name | 4-Pentenoic acid, 2-methyl-, pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-4-6-7-9-13-11(12)10(3)8-5-2/h5,10H,2,4,6-9H2,1,3H3 |
| InChIKey | SEJDYFKTCPTWBP-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(C(C(OCCCCC)=O)C)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956921 |