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(E,E,E,E,E,E)-Hexakis(2-phenylethenyl)benzene
SpectraBase Compound ID AGyZ4ETyMDG
InChI InChI=1S/C54H42/c1-7-19-43(20-8-1)31-37-49-50(38-32-44-21-9-2-10-22-44)52(40-34-46-25-13-4-14-26-46)54(42-36-48-29-17-6-18-30-48)53(41-35-47-27-15-5-16-28-47)51(49)39-33-45-23-11-3-12-24-45/h1-42H/b37-31+,38-32+,39-33+,40-34+,41-35+,42-36+
InChIKey YIMDTNRSNJFHRL-SDLVEWDGSA-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 8Ek7L9uK5rM
Name (E,E,E,E,E,E)-Hexakis(2-phenylethenyl)benzene
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/c1-7-19-43(20-8-1)31-37-49-50(38-32-44-21-9-2-10-22-44)52(40-34-46-25-13-4-14-26-46)54(42-36-48-29-17-6-18-30-48)53(41-35-47-27-15-5-16-28-47)51(49)39-33-45-23-11-3-12-24-45/h1-42H/b37-31+,38-32+,39-33+,40-34+,41-35+,42-36+
InChIKey YIMDTNRSNJFHRL-SDLVEWDGSA-N
SMILES C=1(C(=C(\C=C\C=2C=CC=CC2)C(=C(C1\C=C\C=1C=CC=CC1)\C=C\C=1C=CC=CC1)\C=C\C=1C=CC=CC1)\C=C\C=1C=CC=CC1)\C=C\C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870041