| SpectraBase Compound ID | 5fbkqEzCLsn |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-4-6-8-9(3)12-10(11)7-5-2/h4,6,8H,5,7H2,1-3H3/b6-4+,9-8+ |
| InChIKey | AIHAIMHYQQKCRG-ICNYKPIKSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AmRt0KMtoa8 |
|---|---|
| Name | E,E-2,4-Hexadienyl butanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-4-6-8-9(3)12-10(11)7-5-2/h4,6,8H,5,7H2,1-3H3/b6-4+,9-8+ |
| InChIKey | AIHAIMHYQQKCRG-ICNYKPIKSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(O\C(=C\C=C\C)C)(=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801726 |