SpectraBase Spectrum ID |
CVodUeBBHuq |
Name |
3-(4-Methoxyphenyl)-7-[(2-methylprop-2-en-1-yl)oxy]chromen-4-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.120509056 u |
Formula |
C20H18O4 |
InChI |
InChI=1S/C20H18O4/c1-13(2)11-23-16-8-9-17-19(10-16)24-12-18(20(17)21)14-4-6-15(22-3)7-5-14/h4-10,12H,1,11H2,2-3H3 |
InChIKey |
XEUBQUXHXCUGRZ-UHFFFAOYSA-N |
Molecular Weight |
322.360 g/mol |
SMILES |
C=1(C(C2=CC=C(C=C2OC1)OCC(C)=C)=O)C1=CC=C(OC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933277 |