SpectraBase Spectrum ID |
Hr4J8Cy2KaX |
Name |
Chromone, 2-[2-(3,5-dibenzylphenyl)ethenyl]-5,6,7,8-tetramethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
594.225368047 u |
Formula |
C36H34O8 |
InChI |
InChI=1S/C36H34O8/c1-23-27(44-33-30(31(23)37)32(38-2)34(39-3)36(41-5)35(33)40-4)18-16-24-17-19-28(42-21-25-12-8-6-9-13-25)29(20-24)43-22-26-14-10-7-11-15-26/h6-20H,21-22H2,1-5H3/b18-16+ |
InChIKey |
RLXNGVRXZONZRP-FBMGVBCBSA-N |
Molecular Weight |
594.660 g/mol |
SMILES |
C1(=C(C(=C2C(=C1OC)C(C(=C(O2)\C=C\C1=CC(=C(C=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)C)=O)OC)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935955 |