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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJKxO0uG2fs
Name 6,4'-(Cyclotetradec-4-yndiyl)-2-methoxy-4,2',6'-tris(4-methoxybenzyloxy)biphenyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c12-c3c(cc(cc3CCCC#CCCCCCCCCCc(cc1OCc1ccc(cc1)OC)cc2OCc1ccc(cc1)OC)OCc1ccc(cc1)OC)OC
SPLASH splash10-00di-0900001000-edb8782965103a5c604c
Source of Spectrum QE-8-1868-37
Synonyms 3-Methoxy-5,24,25-tris[(4-methoxybenzyl)oxy]tricyclo[20.2.2.0(2,7)]hexacosa-1(24),2,4,6,22,25-hexaen-11-yne
Wiley ID 1557567