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6,4'-(Cyclotetradec-4-yndiyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)biphenyl

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

6,4'-(Cyclotetradec-4-yndiyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)biphenyl
SpectraBase Compound ID 5PLVlDJTMAN
InChI InChI=1S/C51H58O7/c1-52-43-25-19-38(20-26-43)35-56-46-33-42-18-16-14-12-10-8-6-5-7-9-11-13-15-17-41-31-48(57-36-39-21-27-44(53-2)28-22-39)51(50(42)47(34-46)55-4)49(32-41)58-37-40-23-29-45(54-3)30-24-40/h19-34H,5-9,11,13-18,35-37H2,1-4H3
InChIKey XZSCNLKOMHINKD-UHFFFAOYSA-N
Mol Weight 783.0 g/mol
Molecular Formula C51H58O7
Exact Mass 782.418254 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LofhNQ2Q6zE
Name 6,4'-(Cyclotetradec-4-yndiyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 782.418254201 u
Formula C51H58O7
InChI InChI=1S/C51H58O7/c1-52-43-25-19-38(20-26-43)35-56-46-33-42-18-16-14-12-10-8-6-5-7-9-11-13-15-17-41-31-48(57-36-39-21-27-44(53-2)28-22-39)51(50(42)47(34-46)55-4)49(32-41)58-37-40-23-29-45(54-3)30-24-40/h19-34H,5-9,11,13-18,35-37H2,1-4H3
InChIKey XZSCNLKOMHINKD-UHFFFAOYSA-N
Molecular Weight 783.018 g/mol
SMILES C=12C=3C(=CC(=CC3CCCC#CCCCCCCCCCC(=CC1OCC=1C=CC(=CC1)OC)C=C2OCC=1C=CC(=CC1)OC)OCC=1C=CC(=CC1)OC)OC