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5,6-Bis(methoxycarbonyl)-3-methyl-7-(4-bromobenzoyl)pyrrolo[1,2-c]pyrimidine
SpectraBase Compound ID KWre2k9bZt2
InChI InChI=1S/C19H15BrN2O5/c1-10-8-13-14(18(24)26-2)15(19(25)27-3)16(22(13)9-21-10)17(23)11-4-6-12(20)7-5-11/h4-9H,1-3H3
InChIKey VSIHBXDZILZKGS-UHFFFAOYSA-N
Mol Weight 431.24 g/mol
Molecular Formula C19H15BrN2O5
Exact Mass 430.016435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tYXtnINZgg
Name 5,6-Bis(methoxycarbonyl)-3-methyl-7-(4-bromobenzoyl)pyrrolo[1,2-c]pyrimidine
Alternate Name(s) Dimethyl 7-(4-bromobenzoyl)-3-methylpyrrolo[1,2-c]pyrimidine-5,6-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15BrN2O5
InChI InChI=1S/C19H15BrN2O5/c1-10-8-13-14(18(24)26-2)15(19(25)27-3)16(22(13)9-21-10)17(23)11-4-6-12(20)7-5-11/h4-9H,1-3H3
InChIKey VSIHBXDZILZKGS-UHFFFAOYSA-N
Molecular Weight 431.242 g/mol
SMILES c1(c(c(C(c2ccc(cc2)Br)=O)[n]2c1C=C(N=C2)C)C(=O)OC)C(=O)OC
SPLASH splash10-014i-0249000000-03047dbc774d56826917
Source of Spectrum SO-0-2049-4
Wiley ID 878429