SpectraBase Spectrum ID |
GvIb4gNLGQ3 |
Name |
Methanone, bis[4-([1,1'-biphenyl]-4-yloxy)phenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
518.188194694 u |
Formula |
C37H26O3 |
InChI |
InChI=1S/C37H26O3/c38-37(31-15-23-35(24-16-31)39-33-19-11-29(12-20-33)27-7-3-1-4-8-27)32-17-25-36(26-18-32)40-34-21-13-30(14-22-34)28-9-5-2-6-10-28/h1-26H |
InChIKey |
MFLZHVAJYJJTTJ-UHFFFAOYSA-N |
Molecular Weight |
518.612 g/mol |
SMILES |
C1=C(C=CC=C1)C1=CC=C(C=C1)OC1=CC=C(C=C1)C(C1=CC=C(C=C1)OC1=CC=C(C=C1)C1=CC=CC=C1)=O |
Spectrum/Structure Validation Score (Raman) |
0.995592 |