SpectraBase Compound ID | ETsWwVCo6Fk |
---|---|
InChI | InChI=1S/C11H14O2/c1-3-13-8-10-4-6-11(7-5-10)9(2)12/h4-7H,3,8H2,1-2H3 |
InChIKey | NWOGAXKYDXSTMA-UHFFFAOYSA-N |
Mol Weight | 178.23 g/mol |
Molecular Formula | C11H14O2 |
Exact Mass | 178.09938 g/mol |
SpectraBase Spectrum ID | HOiennRAPXG |
---|---|
Name | Ethanone, 1-[4-(ethoxymethyl)phenyl]- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 178.099379689 u |
Formula | C11H14O2 |
InChI | InChI=1S/C11H14O2/c1-3-13-8-10-4-6-11(7-5-10)9(2)12/h4-7H,3,8H2,1-2H3 |
InChIKey | NWOGAXKYDXSTMA-UHFFFAOYSA-N |
Molecular Weight | 178.231 g/mol |
SMILES | CC(=O)c1ccc(cc1)COCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947691 |