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3,3''-Bis(4-methoxyphenylazo)-(1,1':3',1"-tetrazulene)
SpectraBase Compound ID KSNx90BvMSA
InChI InChI=1S/C44H32N4O2/c1-49-31-22-18-29(19-23-31)45-47-43-27-41(35-14-8-4-10-16-37(35)43)39-26-40(34-13-7-3-6-12-33(34)39)42-28-44(38-17-11-5-9-15-36(38)42)48-46-30-20-24-32(50-2)25-21-30/h3-28H,1-2H3/b47-45+,48-46+
InChIKey JQZUFTDHWIIRKN-MLGMXDONSA-N
Mol Weight 648.8 g/mol
Molecular Formula C44H32N4O2
Exact Mass 648.252526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwlVwLQASpy
Name 3,3''-Bis(4-methoxyphenylazo)-(1,1':3',1"-tetrazulene)
Alternate Name(s) 3,3''-Bis-(4-methoxyphenyl-azo)-(1,1':3',1''-tetrazulene)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H32N4O2
InChI InChI=1S/C44H32N4O2/c1-49-31-22-18-29(19-23-31)45-47-43-27-41(35-14-8-4-10-16-37(35)43)39-26-40(34-13-7-3-6-12-33(34)39)42-28-44(38-17-11-5-9-15-36(38)42)48-46-30-20-24-32(50-2)25-21-30/h3-28H,1-2H3/b47-45+,48-46+
InChIKey JQZUFTDHWIIRKN-MLGMXDONSA-N
Molecular Weight 648.766 g/mol
SMILES c1(-c2c3c(ccccc3)c(c2)\N=N\c2ccc(cc2)OC)c2c(ccccc2)c(c1)-c1c2c(ccccc2)c(c1)\N=N\c1ccc(cc1)OC
SPLASH splash10-0ab9-2900000000-c99fff419499520cbd40
Source of Spectrum KC-0-985-11
Wiley ID 830327