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5-(4-Chlorophenyl)-6-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3shIRs8QPV
InChI InChI=1S/C25H24Cl2N4O3/c1-3-33-25(32)24-29-31(21-12-10-20(27)11-13-21)23(28-30(24)2)18-6-14-22(15-7-18)34-16-17-4-8-19(26)9-5-17/h4-15,23,28H,3,16H2,1-2H3
InChIKey JWLCIAGIGZRFMU-UHFFFAOYSA-N
Mol Weight 499.4 g/mol
Molecular Formula C25H24Cl2N4O3
Exact Mass 498.122546 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ic4gwOouwJr
Name 5-(4-Chlorophenyl)-6-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester
Alternate Name(s) 6-[4-(4-chlorobenzyl)oxyphenyl]-5-(4-chlorophenyl)-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Ethyl 5-(4-chlorophenyl)-6-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate
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Formula C25H24Cl2N4O3
InChI InChI=1S/C25H24Cl2N4O3/c1-3-33-25(32)24-29-31(21-12-10-20(27)11-13-21)23(28-30(24)2)18-6-14-22(15-7-18)34-16-17-4-8-19(26)9-5-17/h4-15,23,28H,3,16H2,1-2H3
InChIKey JWLCIAGIGZRFMU-UHFFFAOYSA-N
Molecular Weight 499.398 g/mol
SMILES N1N(C(=NN(C1c1ccc(OCc2ccc(cc2)Cl)cc1)c1ccc(cc1)Cl)C(=O)OCC)C
SPLASH splash10-004i-5910000000-146ff064d530b7eb93cf
Wiley ID 1454690