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3-Hexyl-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-ene-7,9-dione
SpectraBase Compound ID 4Mw4s2sLook
InChI InChI=1S/C18H23N3O2/c1-2-3-4-6-9-15-12-13-19-17(22)21(18(23)20(19)14-15)16-10-7-5-8-11-16/h5,7-8,10-12H,2-4,6,9,13-14H2,1H3
InChIKey VXXPRMURUQAUGA-UHFFFAOYSA-N
Mol Weight 313.4 g/mol
Molecular Formula C18H23N3O2
Exact Mass 313.179027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbZYWdrZrXW
Name 3-Hexyl-8-phenyl-1,6,8-triazabicyclo[4.3.0]non-3-ene-7,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O2
InChI InChI=1S/C18H23N3O2/c1-2-3-4-6-9-15-12-13-19-17(22)21(18(23)20(19)14-15)16-10-7-5-8-11-16/h5,7-8,10-12H,2-4,6,9,13-14H2,1H3
InChIKey VXXPRMURUQAUGA-UHFFFAOYSA-N
Molecular Weight 313.401 g/mol
SMILES C1(N(C(N2CC=C(CN12)CCCCCC)=O)c1ccccc1)=O
SPLASH splash10-03di-0009000000-b4bb47cf6671cbfbd50a
Source of Spectrum KC-1991-1897-12
Synonyms 6-Hexyl-2-phenyl-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione
Wiley ID 1314339