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

View entire compound with spectra: 2 MS (GC)

(1S,2R,3R,4R)-1,4-Dimethyl-2-azido-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione
SpectraBase Compound ID KYj0I0qE17e
InChI InChI=1S/C18H16BrN5O2/c1-9-15(19)16(21-22-20)10(2)24-18(26)14-8-12-6-4-3-5-11(12)7-13(14)17(25)23(9)24/h3-10,15-16H,1-2H3/t9-,10+,15-,16-/m1/s1
InChIKey PGTMGQNIGVISBF-GYHMKYFYSA-N
Mol Weight 414.26 g/mol
Molecular Formula C18H16BrN5O2
Exact Mass 413.048738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HS3XQAODrrJ
Name (1S,2R,3R,4R)-1,4-Dimethyl-2-azido-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione
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Formula C18H16BrN5O2
InChI InChI=1S/C18H16BrN5O2/c1-9-15(19)16(21-22-20)10(2)24-18(26)14-8-12-6-4-3-5-11(12)7-13(14)17(25)23(9)24/h3-10,15-16H,1-2H3/t9-,10+,15-,16-/m1/s1
InChIKey PGTMGQNIGVISBF-GYHMKYFYSA-N
Molecular Weight 414.263 g/mol
SMILES C1(N2N(C(c3c1cc1c(c3)cccc1)=O)[C@]([C@]([C@@]([C@]2(C)[H])(Br)[H])(N=[N+]=[N-])[H])(C)[H])=O
SPLASH splash10-04i0-0000900000-ba58962fe86b422d7d75
Source of Spectrum Y4-91-127-5
Synonyms (1S,2R,3R,4R)-2-azido-3-bromo-1,4-dimethyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione 1,4-Dimethyl-2-azido-3-bromo-1,2,3,4,6,13-hexahydrobenzo[g]pyridazino[1,2-b]phthalazine-5,13-dione 2-Bromo-3-azido-1,4-dimethyl-1,4,6,13-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione
Wiley ID 1550485