SpectraBase Spectrum ID |
CLX04uTGBCy |
Name |
(1R*,8S*)-10,11-Diphenyl-13-oxatricyclo[6.4.1.0(2,7)]trideca-2,4,6,19,11-pentaene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
322.135765199 u |
Formula |
C24H18O |
InChI |
InChI=1S/C24H18O/c1-3-9-17(10-4-1)21-15-23-19-13-7-8-14-20(19)24(25-23)16-22(21)18-11-5-2-6-12-18/h1-16,23-24H |
InChIKey |
QSBRTMTXUCUUNJ-UHFFFAOYSA-N |
Molecular Weight |
322.407 g/mol |
SMILES |
C=1(C(=CC2OC(C1)C=1C2=CC=CC1)C1=CC=CC=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928939 |