| SpectraBase Compound ID | GbKjlTE86dC |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-4-5-6-7-10(8(2)11)9(3)12/h4-6,10H,1,7H2,2-3H3/b6-5+ |
| InChIKey | FEJWXJKKSRPXLY-AATRIKPKSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 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 | C6P4t9QEJKf |
|---|---|
| Name | 5,7-Octadien-2-one, 3-acetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-4-5-6-7-10(8(2)11)9(3)12/h4-6,10H,1,7H2,2-3H3/b6-5+ |
| InChIKey | FEJWXJKKSRPXLY-AATRIKPKSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(=O)(C(C(=O)C)C\C=C\C=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966215 |