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8-(4-BROMOBENZOYL)-7-ETHOXYCARBONYL-7-HYDROXY-6-OXO-1,2,3,4,6,7-HEXAHYDROPYRROLO-[1,2-A]-PYRIMIDINE
SpectraBase Compound ID FjwB77I9sTh
InChI InChI=1S/C17H17BrN2O5/c1-2-25-16(23)17(24)12(13(21)10-4-6-11(18)7-5-10)14-19-8-3-9-20(14)15(17)22/h4-7,19,24H,2-3,8-9H2,1H3
InChIKey ORINFPATHOMKIP-UHFFFAOYSA-N
Mol Weight 409.24 g/mol
Molecular Formula C17H17BrN2O5
Exact Mass 408.032085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xNKtzkJRfW
Name 8-(4-bromobenzoyl)-7-hydroxy-6-keto-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine-7-carboxylic acid ethyl ester
Alternate Name(s) 8-[(4-bromophenyl)-oxomethyl]-7-hydroxy-6-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine-7-carboxylic acid ethyl ester Ethyl 8-(4-bromobenzoyl)-7-hydroxy-6-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine-7-carboxylate Ethyl 8-(4-bromophenyl)carbonyl-7-oxidanyl-6-oxidanylidene-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine-7-carboxylate
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Formula C17H17BrN2O5
InChI InChI=1S/C17H17BrN2O5/c1-2-25-16(23)17(24)12(13(21)10-4-6-11(18)7-5-10)14-19-8-3-9-20(14)15(17)22/h4-7,19,24H,2-3,8-9H2,1H3
InChIKey ORINFPATHOMKIP-UHFFFAOYSA-N
Molecular Weight 409.236 g/mol
SMILES N1CCCN2C1=C(C(C2=O)(C(=O)OCC)O)C(c1ccc(cc1)Br)=O
SPLASH splash10-057l-0609000000-8a360cf94474540f9435
Source of Spectrum KC-0-325-10
Wiley ID 827331