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2',6-bis{p-chlorophenyl}bispyrimido[1,2-b :1',2'-e](1,2,4,5)-tetrazine
SpectraBase Compound ID 3Dy9mKWHxvL
InChI InChI=1S/C20H12Cl2N6/c21-15-5-1-13(2-6-15)17-9-11-27-19(23-17)25-28-12-10-18(24-20(28)26-27)14-3-7-16(22)8-4-14/h1-12H
InChIKey KGDRUWCBJXWIMG-UHFFFAOYSA-N
Mol Weight 407.26 g/mol
Molecular Formula C20H12Cl2N6
Exact Mass 406.05005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxzvGcnjnLs
Name 2',6-bis{p-chlorophenyl}bispyrimido[1,2-b :1',2'-e](1,2,4,5)-tetrazine
CAS Registry Number 126838-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12Cl2N6
InChI InChI=1S/C20H12Cl2N6/c21-15-5-1-13(2-6-15)17-9-11-27-19(23-17)25-28-12-10-18(24-20(28)26-27)14-3-7-16(22)8-4-14/h1-12H
InChIKey KGDRUWCBJXWIMG-UHFFFAOYSA-N
Molecular Weight 407.264 g/mol
SMILES C12=NN3C=CC(=NC3=NN2C=CC(=N1)c1ccc(cc1)Cl)c1ccc(cc1)Cl
SPLASH splash10-0a4i-0900800000-e4d6dce01d8b24689776
Source of Spectrum K-124-2783-3
Synonyms 2,8-bis(4-chlorophenyl)dipyrimido[1,2-b:1,2-e][1,2,4,5]tetraazine
Wiley ID 1372030