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8-(4-BROMOBENZOYL)-7-ETHOXYCARBONYL-7-HYDROXY-1-METHYL-6-OXO-1,2,3,4,6,7-HEXAHYDROPYRROLO-[1,2-A]-PYRIMIDINE
SpectraBase Compound ID JO5J7efgsPP
InChI InChI=1S/C18H19BrN2O5/c1-3-26-17(24)18(25)13(14(22)11-5-7-12(19)8-6-11)15-20(2)9-4-10-21(15)16(18)23/h5-8,25H,3-4,9-10H2,1-2H3
InChIKey ZZWBIINHOCXGSC-UHFFFAOYSA-N
Mol Weight 423.26 g/mol
Molecular Formula C18H19BrN2O5
Exact Mass 422.047735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5jUVP2IB8B
Name 8-(4-bromobenzoyl)-7-hydroxy-6-keto-1-methyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine-7-carboxylic acid ethyl ester
Alternate Name(s) 8-[(4-bromophenyl)-oxomethyl]-7-hydroxy-1-methyl-6-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine-7-carboxylic acid ethyl ester Ethyl 8-(4-bromobenzoyl)-7-hydroxy-1-methyl-6-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine-7-carboxylate Ethyl 8-(4-bromophenyl)carbonyl-1-methyl-7-oxidanyl-6-oxidanylidene-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine-7-carboxylate
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Formula C18H19BrN2O5
InChI InChI=1S/C18H19BrN2O5/c1-3-26-17(24)18(25)13(14(22)11-5-7-12(19)8-6-11)15-20(2)9-4-10-21(15)16(18)23/h5-8,25H,3-4,9-10H2,1-2H3
InChIKey ZZWBIINHOCXGSC-UHFFFAOYSA-N
Molecular Weight 423.263 g/mol
SMILES OC1(C(=C2N(CCCN2C)C1=O)C(c1ccc(cc1)Br)=O)C(=O)OCC
SPLASH splash10-0f89-0952000000-222a6e3e27f559d543bc
Source of Spectrum KC-0-325-11
Wiley ID 827326