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6-[4-(4-chlorobenzyl)oxyphenyl]-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID BQfPF6dcm3s
InChI InChI=1S/C25H25ClN4O3/c1-3-32-25(31)24-28-30(21-7-5-4-6-8-21)23(27-29(24)2)19-11-15-22(16-12-19)33-17-18-9-13-20(26)14-10-18/h4-16,23,27H,3,17H2,1-2H3
InChIKey KVVVWCNKUTVDIH-UHFFFAOYSA-N
Mol Weight 464.95 g/mol
Molecular Formula C25H25ClN4O3
Exact Mass 464.161518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LwVClNxKLT
Name 6-[4-(4-chlorobenzyl)oxyphenyl]-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Ethyl 6-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate
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Formula C25H25ClN4O3
InChI InChI=1S/C25H25ClN4O3/c1-3-32-25(31)24-28-30(21-7-5-4-6-8-21)23(27-29(24)2)19-11-15-22(16-12-19)33-17-18-9-13-20(26)14-10-18/h4-16,23,27H,3,17H2,1-2H3
InChIKey KVVVWCNKUTVDIH-UHFFFAOYSA-N
Molecular Weight 464.953 g/mol
SMILES N1N(C(=NN(C1c1ccc(OCc2ccc(cc2)Cl)cc1)c1ccccc1)C(=O)OCC)C
SPLASH splash10-004i-7910000000-3ae4d0d3aba694266aed
Wiley ID 1454689