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(E,Z)-4',6-(Cyclotetradec-4-en-diyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)-6-oct-6-ynylbiphenyl
SpectraBase Compound ID E98w6N44e74
InChI InChI=1S/C51H60O7/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/h10,12,19-34H,5-9,11,13-18,35-37H2,1-4H3/b12-10-
InChIKey GNDZHJMHISVCQW-BENRWUELSA-N
Mol Weight 785.0 g/mol
Molecular Formula C51H60O7
Exact Mass 784.433904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KnE1ESxVsz
Name (E,Z)-4',6-(Cyclotetradec-4-en-diyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)-6-oct-6-ynylbiphenyl
Alternate Name(s) 3-Methoxy-5,24,25-tris[(4-methoxybenzyl)oxy]tricyclo[20.2.2.0(2,7)]hexacosa-1(24),2,4,6,11,22,25-heptaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C51H60O7
InChI InChI=1S/C51H60O7/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/h10,12,19-34H,5-9,11,13-18,35-37H2,1-4H3/b12-10-
InChIKey GNDZHJMHISVCQW-BENRWUELSA-N
Molecular Weight 785.034 g/mol
SMILES c12-c3c(cc(cc3CCC\C=C/CCCCCCCCCc(cc1OCc1ccc(cc1)OC)cc2OCc1ccc(cc1)OC)OCc1ccc(cc1)OC)OC
SPLASH splash10-00di-0900000000-ed27087b0e113b7f108f
Source of Spectrum QE-8-1868-35
Wiley ID 1557570