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2,3,6,7-Tetrakis(n-hexyloxy)triphenylene

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

2,3,6,7-Tetrakis(n-hexyloxy)triphenylene
SpectraBase Compound ID E7usPut233g
InChI InChI=1S/C42H60O4/c1-5-9-13-19-25-43-39-29-35-33-23-17-18-24-34(33)36-30-40(44-26-20-14-10-6-2)42(46-28-22-16-12-8-4)32-38(36)37(35)31-41(39)45-27-21-15-11-7-3/h17-18,23-24,29-32H,5-16,19-22,25-28H2,1-4H3
InChIKey FOXCXPICCKTKHF-UHFFFAOYSA-N
Mol Weight 628.9 g/mol
Molecular Formula C42H60O4
Exact Mass 628.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6szCrSM2eBK
Name 2,3,6,7-Tetrakis(N-hexyloxy)triphenylene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 628.449160408 u
Formula C42H60O4
InChI InChI=1S/C42H60O4/c1-5-9-13-19-25-43-39-29-35-33-23-17-18-24-34(33)36-30-40(44-26-20-14-10-6-2)42(46-28-22-16-12-8-4)32-38(36)37(35)31-41(39)45-27-21-15-11-7-3/h17-18,23-24,29-32H,5-16,19-22,25-28H2,1-4H3
InChIKey FOXCXPICCKTKHF-UHFFFAOYSA-N
Molecular Weight 628.938 g/mol
SMILES C=1C2=C(C=C(OCCCCCC)C1OCCCCCC)C1=C(C=3C=C(C(OCCCCCC)=CC23)OCCCCCC)C=CC=C1