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2-Benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester
SpectraBase Compound ID 3HJ93fWiREr
InChI InChI=1S/C25H23ClN4O3/c1-3-33-25(32)22-27-29(21-16-14-20(26)15-17-21)23(18-10-6-4-7-11-18)30(28(22)2)24(31)19-12-8-5-9-13-19/h4-17,23H,3H2,1-2H3
InChIKey POYNHEORDQEREZ-UHFFFAOYSA-N
Mol Weight 462.94 g/mol
Molecular Formula C25H23ClN4O3
Exact Mass 462.145868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LNKCeQhv3Q3
Name 2-Benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester
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Formula C25H23ClN4O3
InChI InChI=1S/C25H23ClN4O3/c1-3-33-25(32)22-27-29(21-16-14-20(26)15-17-21)23(18-10-6-4-7-11-18)30(28(22)2)24(31)19-12-8-5-9-13-19/h4-17,23H,3H2,1-2H3
InChIKey POYNHEORDQEREZ-UHFFFAOYSA-N
Molecular Weight 462.937 g/mol
SMILES c1ccc(C(N2N(C(C(=O)OCC)=NN(C2c2ccccc2)c2ccc(cc2)Cl)C)=O)cc1
SPLASH splash10-08fr-4941300000-10a975d1384fe04dc9af
Synonyms Ethyl 2-benzoyl-4-(4-chlorophenyl)-1-methyl-3-phenyl-3H-1,2,4,5-tetrazine-6-carboxylate Ethyl 4-(4-chlorophenyl)-1-methyl-3-phenyl-2-(phenylcarbonyl)-3H-1,2,4,5-tetrazine-6-carboxylate
Wiley ID 1455152