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7-(4-Chlorobenzoyl)-5-oxo-2,3,5,6-tetrahydropyrrolo[2,1-b]imidazole-6-acetic acid
SpectraBase Compound ID CjmlpxbUD6w
InChI InChI=1S/C15H13ClN2O4/c16-9-3-1-8(2-4-9)13(21)12-10(7-11(19)20)15(22)18-6-5-17-14(12)18/h1-4,10,17H,5-7H2,(H,19,20)
InChIKey MQQKZVDOTWVPQD-UHFFFAOYSA-N
Mol Weight 320.73 g/mol
Molecular Formula C15H13ClN2O4
Exact Mass 320.056385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xL65s6iQzG
Name 7-(4-Chlorobenzoyl)-5-oxo-2,3,5,6-tetrahydropyrrolo[2,1-b]imidazole-6-acetic acid
Alternate Name(s) [7-(4-chlorobenzoyl)-5-oxo-2,3,5,6-tetrahydro-1H-pyrrolo[1,2-a]imidazol-6-yl]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClN2O4
InChI InChI=1S/C15H13ClN2O4/c16-9-3-1-8(2-4-9)13(21)12-10(7-11(19)20)15(22)18-6-5-17-14(12)18/h1-4,10,17H,5-7H2,(H,19,20)
InChIKey MQQKZVDOTWVPQD-UHFFFAOYSA-N
Molecular Weight 320.732 g/mol
SMILES N1CCN2C1=C(C(CC(=O)O)C2=O)C(c1ccc(cc1)Cl)=O
SPLASH splash10-0fb9-0098000000-aaaa3c4ff7ed76cec63f
Source of Spectrum SO-0-286-6
Wiley ID 1539852