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(E)-1-[3,4-Bis(hexyloxy)phenyl]-2-(3,5-dimethoxyphenyl)ethene
SpectraBase Compound ID 39jpxk3jY4y
InChI InChI=1S/C28H40O4/c1-5-7-9-11-17-31-27-16-15-23(21-28(27)32-18-12-10-8-6-2)13-14-24-19-25(29-3)22-26(20-24)30-4/h13-16,19-22H,5-12,17-18H2,1-4H3/b14-13+
InChIKey NLVGVYCWLVBNKO-BUHFOSPRSA-N
Mol Weight 440.6 g/mol
Molecular Formula C28H40O4
Exact Mass 440.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D5oQfSPoGf7
Name (E)-1-[3,4-bis(Hexyloxy)phenyl]-2-(3,5-dimethoxyphenyl)ethene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.292659764 u
Formula C28H40O4
InChI InChI=1S/C28H40O4/c1-5-7-9-11-17-31-27-16-15-23(21-28(27)32-18-12-10-8-6-2)13-14-24-19-25(29-3)22-26(20-24)30-4/h13-16,19-22H,5-12,17-18H2,1-4H3/b14-13+
InChIKey NLVGVYCWLVBNKO-BUHFOSPRSA-N
Molecular Weight 440.624 g/mol
SMILES C=1(C(=CC=C(\C=C\C2=CC(OC)=CC(=C2)OC)C1)OCCCCCC)OCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958371