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3-(4-Bromophenyl)-1,3,7-trimethyl-1,2,3,4-tetrahydro-6H-[1,2,4]triazino[4,3-b][1,2,4,5]tetraazin-6-one
SpectraBase Compound ID 40n4A5Fxcd4
InChI InChI=1S/C13H15BrN6O/c1-8-11(21)20-12(16-15-8)19(3)17-13(2,18-20)9-4-6-10(14)7-5-9/h4-7,17-18H,1-3H3
InChIKey LZLNFQOSQWDBCQ-UHFFFAOYSA-N
Mol Weight 351.21 g/mol
Molecular Formula C13H15BrN6O
Exact Mass 350.049072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBlylmzV6ok
Name 3-(4-Bromophenyl)-1,3,7-trimethyl-1,2,3,4-tetrahydro-6H-[1,2,4]triazino[4,3-b][1,2,4,5]tetraazin-6-one
CAS Registry Number 116471-35-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15BrN6O
InChI InChI=1S/C13H15BrN6O/c1-8-11(21)20-12(16-15-8)19(3)17-13(2,18-20)9-4-6-10(14)7-5-9/h4-7,17-18H,1-3H3
InChIKey LZLNFQOSQWDBCQ-UHFFFAOYSA-N
Molecular Weight 351.208 g/mol
SMILES N1N(C2=NN=C(C(N2NC1(C)c1ccc(cc1)Br)=O)C)C
SPLASH splash10-0002-3901000000-7dbe14a09e5650881072
Source of Spectrum F-44-2257-6
Synonyms 3-(4-Bromophenyl)-1,2,3,4-tetrahydro-1,3,7-trimethyl(6H)[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one 3-(4-bromophenyl)-1,3,7-trimethyl-2,4-dihydro-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one
Wiley ID 1341624