(1R,2R,3R,4S)-1,4-Dimethyl-2-ethoxy-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-5,13-dione

SpectraBase Compound ID	JYALu7u0S8D
InChI	InChI=1S/C20H21BrN2O3/c1-4-26-18-12(3)23-20(25)16-10-14-8-6-5-7-13(14)9-15(16)19(24)22(23)11(2)17(18)21/h5-12,17-18H,4H2,1-3H3/t11-,12+,17-,18-/m1/s1
InChIKey	NTPHYVICUJBTSN-FVEFGIFQSA-N Google Search
Mol Weight	417.3 g/mol
Molecular Formula	C20H21BrN2O3
Exact Mass	416.073556 g/mol

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SpectraBase Spectrum ID	CAQL1gvMSiG
Name	(1R,2R,3R,4S)-1,4-Dimethyl-2-ethoxy-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-5,13-dione
Alternate Name(s)	(1R,2R,3R,4S)-2-Bromo-3-ethoxy-1,4-dimethyl-1,2,3,4,6,13-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione (1R,2R,3R,4S)-1,4-Dimethyl-2-ethoxy-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione (1R,2R,3R,4S)-2-bromo-3-ethoxy-1,4-dimethyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione 1,4-Dimethyl-2-ethoxy-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-5,13-dione 1,4-Dimethyl-2-ethoxy-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione 2-Bromo-3-ethoxy-1,4-dimethyl-1,4,6,13-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione
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Formula	C20H21BrN2O3
InChI	InChI=1S/C20H21BrN2O3/c1-4-26-18-12(3)23-20(25)16-10-14-8-6-5-7-13(14)9-15(16)19(24)22(23)11(2)17(18)21/h5-12,17-18H,4H2,1-3H3/t11-,12+,17-,18-/m1/s1
InChIKey	NTPHYVICUJBTSN-FVEFGIFQSA-N
Molecular Weight	417.303 g/mol
SMILES	C1(N2N(C(c3c1cc1c(c3)cccc1)=O)[C@@]([C@]([C@@]([C@@]2(C)[H])(OCC)[H])(Br)[H])(C)[H])=O
SPLASH	splash10-014i-0011900000-2b5c8bbe9d92201ecb44
Source of Spectrum	Y4-91-127-4
Wiley ID	1550487