SpectraBase Spectrum ID |
IHbdWP71fUt |
Name |
Ethanone, 1-(2,4,5-triethoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.136159120 u |
Formula |
C14H20O4 |
InChI |
InChI=1S/C14H20O4/c1-5-16-12-9-14(18-7-3)13(17-6-2)8-11(12)10(4)15/h8-9H,5-7H2,1-4H3 |
InChIKey |
PXBWCOGDYXMWMC-UHFFFAOYSA-N |
Molecular Weight |
252.310 g/mol |
SMILES |
C1(=C(C=C(C(=C1)OCC)OCC)C(C)=O)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967137 |