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5-BUTYL-5,6-DIHYDRO-1-[(4-METHOXYBENZOYL)-AMINO]-[1.2.3]-OXADIAZOLO-[4.3-A]-PHTHALAZIN-4-IUM-INNER-SALT
SpectraBase Compound ID JgpMGIkJAkC
InChI InChI=1S/C21H22N4O3/c1-3-4-13-24-14-16-7-5-6-8-18(16)19-21(28-23-25(19)24)22-20(26)15-9-11-17(27-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKey MKQDNYUDOZUKNF-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C21H22N4O3
Exact Mass 378.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FVmCaJXSqOH
Name 5-BUTYL-5,6-DIHYDRO-1-[(4-METHOXYBENZOYL)-AMINO]-[1.2.3]-OXADIAZOLO-[4.3-A]-PHTHALAZIN-4-IUM-INNER-SALT
Compound Number 8DA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O3
InChI InChI=1S/C21H22N4O3/c1-3-4-13-24-14-16-7-5-6-8-18(16)19-21(28-23-25(19)24)22-20(26)15-9-11-17(27-2)12-10-15/h5-12H,3-4,13-14H2,1-2H3
InChIKey MKQDNYUDOZUKNF-UHFFFAOYSA-N
Literature Reference Author J.M.RUXER,J.MAUGER,D.BENARD,C.LACHOUX
Literature Reference Citation J.HETCYCL.CHEM.,32,643(1995)
Literature Reference DOI 10.1002/jhet.5570320245
Molecular Weight 378.431 g/mol
Solvent DMSO-D6