| SpectraBase Compound ID | HSdJmx6kCjL |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-4-6-7-9(3)8-10(11)12-5-2/h8H,4-7H2,1-3H3/b9-8+ |
| InChIKey | ODIGGGLINZKHCV-CMDGGOBGSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9CiwnzCbLom |
|---|---|
| Name | Ethyl (E)-3-methylhept-2-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-4-6-7-9(3)8-10(11)12-5-2/h8H,4-7H2,1-3H3/b9-8+ |
| InChIKey | ODIGGGLINZKHCV-CMDGGOBGSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(\C=C\(CCCC)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985236 |