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syn-5,10,15-Tris(2-ethenylphenylmethyl)-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene
SpectraBase Compound ID G30uRk5U7XX
InChI InChI=1S/C54H42/c1-4-34-19-7-10-22-37(34)31-46-40-25-13-16-28-43(40)49-52(46)50-44-29-17-14-26-41(44)47(32-38-23-11-8-20-35(38)5-2)54(50)51-45-30-18-15-27-42(45)48(53(49)51)33-39-24-12-9-21-36(39)6-3/h4-30,46-48H,1-3,31-33H2
InChIKey HMQOPEPRDGQWIS-UHFFFAOYSA-N
Mol Weight 690.9 g/mol
Molecular Formula C54H42
Exact Mass 690.328651 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jv4yJwESlfR
Name syn-5,10,15-Tris(2-ethenylphenylmethyl)-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 690.328651352 u
Formula C54H42
InChI InChI=1S/C54H42/c1-4-34-19-7-10-22-37(34)31-46-40-25-13-16-28-43(40)49-52(46)50-44-29-17-14-26-41(44)47(32-38-23-11-8-20-35(38)5-2)54(50)51-45-30-18-15-27-42(45)48(53(49)51)33-39-24-12-9-21-36(39)6-3/h4-30,46-48H,1-3,31-33H2
InChIKey HMQOPEPRDGQWIS-UHFFFAOYSA-N
SMILES C=12C3=C(C=4C=CC=CC4C3CC=3C(C=C)=CC=CC3)C3=C(C1C(CC=1C(C=C)=CC=CC1)C1=C2C=CC=C1)C1=C(C=CC=C1)C3CC=1C(C=C)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938221