| SpectraBase Compound ID | DRxBU11DpY5 |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-6H,1,4,7-9H2,2H3/b6-5- |
| InChIKey | USOPMHKCANPDTP-WAYWQWQTSA-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 | FratzvG929e |
|---|---|
| Name | (Z)-3,5-Hexadienyl butyrate |
| 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/c1-3-5-6-7-9-12-10(11)8-4-2/h3,5-6H,1,4,7-9H2,2H3/b6-5- |
| InChIKey | USOPMHKCANPDTP-WAYWQWQTSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(=O)(OCC\C=C/C=C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937668 |