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1,4,5,8-tetrakis(methoxycarbonyl)-2,3,6,7-tetraphenyl-anthracene
SpectraBase Compound ID yMLriVOQHR
InChI InChI=1S/C46H34O8/c1-51-43(47)39-31-25-33-34(26-32(31)40(44(48)52-2)36(28-19-11-6-12-20-28)35(39)27-17-9-5-10-18-27)42(46(50)54-4)38(30-23-15-8-16-24-30)37(41(33)45(49)53-3)29-21-13-7-14-22-29/h5-26H,1-4H3
InChIKey AJAQRYSMVCQIGE-UHFFFAOYSA-N
Mol Weight 714.8 g/mol
Molecular Formula C46H34O8
Exact Mass 714.225368 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FOxKJvFjRz
Name 1,4,5,8-tetrakis(methoxycarbonyl)-2,3,6,7-tetraphenyl-anthracene
Alternate Name(s) Tetramethyl 2,3,6,7-tetraphenyl-1,4,5,8-anthracenetetracarboxylate
CAS Registry Number 91477-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H34O8
InChI InChI=1S/C46H34O8/c1-51-43(47)39-31-25-33-34(26-32(31)40(44(48)52-2)36(28-19-11-6-12-20-28)35(39)27-17-9-5-10-18-27)42(46(50)54-4)38(30-23-15-8-16-24-30)37(41(33)45(49)53-3)29-21-13-7-14-22-29/h5-26H,1-4H3
InChIKey AJAQRYSMVCQIGE-UHFFFAOYSA-N
Molecular Weight 714.770 g/mol
SMILES c1(c2c(cc3c(c(-c4ccccc4)c(c(c3c2)C(=O)OC)-c2ccccc2)C(=O)OC)c(c(c1-c1ccccc1)-c1ccccc1)C(=O)OC)C(=O)OC
SPLASH splash10-03xr-0022000900-3da0bbc11b01b49bc839
Source of Spectrum J-51-985-45
Wiley ID 1415481