| SpectraBase Compound ID | JjXl6RuhDN6 |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3,8-9H,1,4-7H2,2H3/b9-8+ |
| InChIKey | YJMBTLPCWIGRGK-CMDGGOBGSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8D1TwdxJud0 |
|---|---|
| Name | 2,7-Octadienoic acid, ethyl ester, (E)- |
| 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/c1-3-5-6-7-8-9-10(11)12-4-2/h3,8-9H,1,4-7H2,2H3/b9-8+ |
| InChIKey | YJMBTLPCWIGRGK-CMDGGOBGSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(\C=C\CCCC=C)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869921 |