| SpectraBase Compound ID | 6RdfncwuKg6 |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-2-15-10-11-16-13(14)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | IQSTWWQMHSGLNW-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4tHtfZ0PKEc |
|---|---|
| Name | 2-Ethoxyethyl-.beta.-phenylpropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-2-15-10-11-16-13(14)9-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3 |
| InChIKey | IQSTWWQMHSGLNW-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C1=CC=CC(=C1)CCC(OCCOCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984505 |