| SpectraBase Compound ID | ATb9JFvg47f |
|---|---|
| InChI | InChI=1S/C14H18O3/c1-2-17-14(16)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | HKXUPUFOBGMUEP-UHFFFAOYSA-N |
| Mol Weight | 234.29 g/mol |
| Molecular Formula | C14H18O3 |
| Exact Mass | 234.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JiFP3ncfwZQ |
|---|---|
| Name | Ethyl-4-oxo-6-phenylhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.125594437 u |
| Formula | C14H18O3 |
| InChI | InChI=1S/C14H18O3/c1-2-17-14(16)11-10-13(15)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | HKXUPUFOBGMUEP-UHFFFAOYSA-N |
| Molecular Weight | 234.295 g/mol |
| SMILES | C(=O)(CCC(=O)CCC1=CC=CC=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97129 |