| SpectraBase Compound ID | 2wHMWYOGfcg |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-5-8-10(7-3)13-11(12)9(4)6-2/h6,10H,5,7-8H2,1-4H3/b9-6+ |
| InChIKey | PGRIJRPYKDZIPV-RMKNXTFCSA-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 | KmNS7ATW3Sf |
|---|---|
| Name | Hexan-3-yl (E)-2-methylbut-2-enoate |
| 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/c1-5-8-10(7-3)13-11(12)9(4)6-2/h6,10H,5,7-8H2,1-4H3/b9-6+ |
| InChIKey | PGRIJRPYKDZIPV-RMKNXTFCSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(=O)(\C(=C\C)C)OC(CC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971107 |