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(E)-pent-2-ene-1,1,3,5,5-pentaylpentabenzene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(E)-pent-2-ene-1,1,3,5,5-pentaylpentabenzene
SpectraBase Compound ID 735WGo0W2xz
InChI InChI=1S/C35H30/c1-6-16-28(17-7-1)33(26-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30)27-35(31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-26,34-35H,27H2/b33-26+
InChIKey NVIQUIRIUNTJSP-MHTZHOPKSA-N
Mol Weight 450.6 g/mol
Molecular Formula C35H30
Exact Mass 450.234751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ZtLnodI2wI
Name (E)-Pent-2-ene-1,1,3,5,5-pentaylpentabenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.234750966 u
Formula C35H30
InChI InChI=1S/C35H30/c1-6-16-28(17-7-1)33(26-34(29-18-8-2-9-19-29)30-20-10-3-11-21-30)27-35(31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-26,34-35H,27H2/b33-26+
InChIKey NVIQUIRIUNTJSP-MHTZHOPKSA-N
Molecular Weight 450.625 g/mol
SMILES C=1C(=CC=CC1)C(C1=CC=CC=C1)C\C(=C/C(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971353