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3,3', 4,4'-Tetrakis(hexyloxy)biphenyl

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

3,3', 4,4'-Tetrakis(hexyloxy)biphenyl
SpectraBase Compound ID H96vlPWLEwt
InChI InChI=1S/C36H58O4/c1-5-9-13-17-25-37-33-23-21-31(29-35(33)39-27-19-15-11-7-3)32-22-24-34(38-26-18-14-10-6-2)36(30-32)40-28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
InChIKey TTZUIHYCEOBMAU-UHFFFAOYSA-N
Mol Weight 554.9 g/mol
Molecular Formula C36H58O4
Exact Mass 554.43351 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6q9ZToW6cVk
Name 3,3', 4,4'-Tetrakis(hexyloxy)biphenyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.433510344 u
Formula C36H58O4
InChI InChI=1S/C36H58O4/c1-5-9-13-17-25-37-33-23-21-31(29-35(33)39-27-19-15-11-7-3)32-22-24-34(38-26-18-14-10-6-2)36(30-32)40-28-20-16-12-8-4/h21-24,29-30H,5-20,25-28H2,1-4H3
InChIKey TTZUIHYCEOBMAU-UHFFFAOYSA-N
Molecular Weight 554.856 g/mol
SMILES C=1C=C(C=2C=C(C(=CC2)OCCCCCC)OCCCCCC)C=C(C1OCCCCCC)OCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969069