SpectraBase Spectrum ID |
JNSXkoDTMRS |
Name |
2,4-Dimethoxy-2'-ethoxychalcone (isomer 2) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
312.136159120 u |
Formula |
C19H20O4 |
InChI |
InChI=1S/C19H20O4/c1-4-23-18-8-6-5-7-16(18)17(20)12-10-14-9-11-15(21-2)13-19(14)22-3/h5-13H,4H2,1-3H3/b12-10+ |
InChIKey |
OGFYUDYUCOKRQW-ZRDIBKRKSA-N |
Molecular Weight |
312.365 g/mol |
SMILES |
C1(=C(C=CC=C1)OCC)C(\C=C\C=1C=CC(OC)=CC1OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968632 |