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1,2,4,5-Tetrazine-3-carboxylic acid, 1,2,5,6-tetrahydro-5-(4-chlorophenyl)-2-methyl-6-(2-thienyl)-, ethyl ester
SpectraBase Compound ID 9a4SEWkAWDw
InChI InChI=1S/C16H17ClN4O2S/c1-3-23-16(22)15-19-21(12-8-6-11(17)7-9-12)14(18-20(15)2)13-5-4-10-24-13/h4-10,14,18H,3H2,1-2H3
InChIKey VQDZYKNAQNDPHD-UHFFFAOYSA-N
Mol Weight 364.85 g/mol
Molecular Formula C16H17ClN4O2S
Exact Mass 364.076075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58X2YqcZ631
Name 1,2,4,5-Tetrazine-3-carboxylic acid, 1,2,5,6-tetrahydro-5-(4-chlorophenyl)-2-methyl-6-(2-thienyl)-, ethyl ester
Alternate Name(s) 5-(4-Chlorophenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester 5-(4-Chlorophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Ethyl 5-(4-chlorophenyl)-2-methyl-6-(2-thienyl)-1,2,5,6-tetrahydro-1,2,4,5-tetraazine-3-carboxylate Ethyl 5-(4-chlorophenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Ethyl 5-(4-chlorophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate
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Formula C16H17ClN4O2S
InChI InChI=1S/C16H17ClN4O2S/c1-3-23-16(22)15-19-21(12-8-6-11(17)7-9-12)14(18-20(15)2)13-5-4-10-24-13/h4-10,14,18H,3H2,1-2H3
InChIKey VQDZYKNAQNDPHD-UHFFFAOYSA-N
Molecular Weight 364.851 g/mol
SMILES N1N(C(=NN(C1c1sccc1)c1ccc(cc1)Cl)C(=O)OCC)C
SPLASH splash10-0006-9302000000-09a1deba6283a1ec91d3
Source of Spectrum AD-0-2532-0
Wiley ID 1419672