SpectraBase Compound ID | sPOlLSJ2Oo |
---|---|
InChI | InChI=1S/C11H14O3/c1-3-14-10-6-4-9(5-7-10)11(13)8(2)12/h4-7,11,13H,3H2,1-2H3 |
InChIKey | CJXNWYRGGIDWCA-UHFFFAOYSA-N |
Mol Weight | 194.23 g/mol |
Molecular Formula | C11H14O3 |
Exact Mass | 194.094294 g/mol |
SpectraBase Spectrum ID | L4V9h0E8RYJ |
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Name | 1-(4-Ethoxyphenyl)-1-hydroxy-2-propanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 194.094294308 u |
Formula | C11H14O3 |
InChI | InChI=1S/C11H14O3/c1-3-14-10-6-4-9(5-7-10)11(13)8(2)12/h4-7,11,13H,3H2,1-2H3 |
InChIKey | CJXNWYRGGIDWCA-UHFFFAOYSA-N |
Molecular Weight | 194.230 g/mol |
SMILES | C1=CC(=CC=C1OCC)C(O)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95786 |