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7,8-Dichloro-1,2-dihydro-2-methyl-3-(4'-chlorophenyl)pyrrolo[1,2-b]-1,2,4,5-tetrazin-6(8aH)-one
SpectraBase Compound ID 8TU4seMqCIa
InChI InChI=1S/C12H9Cl3N4O/c1-18-10(6-2-4-7(13)5-3-6)17-19-11(16-18)8(14)9(15)12(19)20/h2-5,11,16H,1H3
InChIKey ITMNHBDPEUETEA-UHFFFAOYSA-N
Mol Weight 331.59 g/mol
Molecular Formula C12H9Cl3N4O
Exact Mass 329.984194 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L4StEYTbRbi
Name 7,8-Dichloro-1,2-dihydro-2-methyl-3-(4'-chlorophenyl)pyrrolo[1,2-b]-1,2,4,5-tetrazin-6(8aH)-one
Alternate Name(s) 7,8-dichloro-3-(4-chlorophenyl)-2-methyl-1,8a-dihydropyrrolo[1,2-b][1,2,4,5]tetraazin-6(2H)-one
CAS Registry Number 137257-39-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9Cl3N4O
InChI InChI=1S/C12H9Cl3N4O/c1-18-10(6-2-4-7(13)5-3-6)17-19-11(16-18)8(14)9(15)12(19)20/h2-5,11,16H,1H3
InChIKey ITMNHBDPEUETEA-UHFFFAOYSA-N
Molecular Weight 331.590 g/mol
SMILES N1N(C(=NN2C1C(=C(C2=O)Cl)Cl)c1ccc(cc1)Cl)C
SPLASH splash10-0006-9002000000-ba33a9d956c89286591f
Source of Spectrum U-1992-124-27
Wiley ID 763770