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(1R*,8S*)-10,11-Diphenyl-13-oxatricyclo[6.4.1.0(2,7)]trideca-2,4,6,19,11-pentaene
SpectraBase Compound ID 13WjEguPo5q
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
Mol Weight 322.41 g/mol
Molecular Formula C24H18O
Exact Mass 322.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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