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5-Bromo-7-methoxycarbonylpyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidine
SpectraBase Compound ID 8cogw3vR1fZ
InChI InChI=1S/C12H8BrN3O2/c1-18-12(17)8-5-9-10(13)7-3-2-4-14-11(7)16(9)6-15-8/h2-6H,1H3
InChIKey SGKXCKSBBLUMFA-UHFFFAOYSA-N
Mol Weight 306.12 g/mol
Molecular Formula C12H8BrN3O2
Exact Mass 304.97999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BAER86nQUt
Name 5-Bromo-7-methoxycarbonylpyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidine
Alternate Name(s) methyl 5-bromopyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidine-7-carboxylate 5-bromo-7-pyrido[2,3]pyrrolo[4,5-a]pyrimidinecarboxylic acid methyl ester methyl 5-bromopyrido[2,3]pyrrolo[4,5-a]pyrimidine-7-carboxylate methyl 5-bromanylpyrido[2,3]pyrrolo[4,5-a]pyrimidine-7-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C12H8BrN3O2
InChI InChI=1S/C12H8BrN3O2/c1-18-12(17)8-5-9-10(13)7-3-2-4-14-11(7)16(9)6-15-8/h2-6H,1H3
InChIKey SGKXCKSBBLUMFA-UHFFFAOYSA-N
Molecular Weight 306.119 g/mol
SMILES C=1[n]2c(C=C(N1)C(=O)OC)c(c1c2nccc1)Br
SPLASH splash10-0k92-0069000000-263cf290c7f250554865
Source of Spectrum F-69-4981-29
Wiley ID 1595290