syn-5,10,15-Tris(2-formylphenylmethyl)-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene

SpectraBase Compound ID	4DyYyi2adhE
InChI	InChI=1S/C51H36O3/c52-28-34-16-4-1-13-31(34)25-43-37-19-7-10-22-40(37)46-49(43)47-41-23-11-8-20-38(41)44(26-32-14-2-5-17-35(32)29-53)51(47)48-42-24-12-9-21-39(42)45(50(46)48)27-33-15-3-6-18-36(33)30-54/h1-24,28-30,43-45H,25-27H2
InChIKey	BUABTLULMSCGSP-UHFFFAOYSA-N Google Search
Mol Weight	696.8 g/mol
Molecular Formula	C51H36O3
Exact Mass	696.266445 g/mol

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SpectraBase Spectrum ID	JAG2Ge45DXW
Name	syn-5,10,15-Tris(2-formylphenylmethyl)-10,15-dihydro-5H-diindeno[1,2-A;1',2'-C]fluorene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	696.266445016 u
Formula	C51H36O3
InChI	InChI=1S/C51H36O3/c52-28-34-16-4-1-13-31(34)25-43-37-19-7-10-22-40(37)46-49(43)47-41-23-11-8-20-38(41)44(26-32-14-2-5-17-35(32)29-53)51(47)48-42-24-12-9-21-39(42)45(50(46)48)27-33-15-3-6-18-36(33)30-54/h1-24,28-30,43-45H,25-27H2
InChIKey	BUABTLULMSCGSP-UHFFFAOYSA-N
Molecular Weight	696.846 g/mol
SMILES	C=12C3=C(C=4C=CC=CC4C3CC=3C(C=O)=CC=CC3)C3=C(C1C(CC=1C(C=O)=CC=CC1)C1=C2C=CC=C1)C1=C(C=CC=C1)C3CC=1C(C=O)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.916758