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1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-2,6-diacetyl-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-methyl-
SpectraBase Compound ID 47DzJIdSdE8
InChI InChI=1S/C20H21ClN4O3/c1-13(26)19-22-24(17-9-7-16(21)8-10-17)20(25(14(2)27)23(19)3)15-5-11-18(28-4)12-6-15/h5-12,20H,1-4H3
InChIKey ULDWTJZDCNMQOG-UHFFFAOYSA-N
Mol Weight 400.87 g/mol
Molecular Formula C20H21ClN4O3
Exact Mass 400.130218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D7S3AG8wCJc
Name 1,2,4,5-Tetrazine, 1,2,3,4-tetrahydro-2,6-diacetyl-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClN4O3
InChI InChI=1S/C20H21ClN4O3/c1-13(26)19-22-24(17-9-7-16(21)8-10-17)20(25(14(2)27)23(19)3)15-5-11-18(28-4)12-6-15/h5-12,20H,1-4H3
InChIKey ULDWTJZDCNMQOG-UHFFFAOYSA-N
Molecular Weight 400.866 g/mol
SMILES COc1ccc(C2N(N=C(N(N2C(=O)C)C)C(=O)C)c2ccc(cc2)Cl)cc1
SPLASH splash10-0006-8920000000-ed5e738a1e8b425201d5
Source of Spectrum AD-0-2532-0
Synonyms 1-[1-Acetyl-5-(4-chlorophenyl)-6-(4-methoxyphenyl)-2-methyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazin-3-yl]ethanone 1-[2-acetyl-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone 1-[4-(4-chlorophenyl)-2-ethanoyl-3-(4-methoxyphenyl)-1-methyl-3H-1,2,4,5-tetrazin-6-yl]ethanone
Wiley ID 1423661