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Pyrrole-2-carboxylic acid, 4-(2-chlorobenzoyl)-3,5-dimethyl-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Pyrrole-2-carboxylic acid, 4-(2-chlorobenzoyl)-3,5-dimethyl-, ethyl ester
SpectraBase Compound ID GpAl81WcHCQ
InChI InChI=1S/C16H16ClNO3/c1-4-21-16(20)14-9(2)13(10(3)18-14)15(19)11-7-5-6-8-12(11)17/h5-8,18H,4H2,1-3H3
InChIKey IJNDRMGKGFHDHH-UHFFFAOYSA-N
Mol Weight 305.76 g/mol
Molecular Formula C16H16ClNO3
Exact Mass 305.081871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69eqWf044R6
Name Pyrrole-2-carboxylic acid, 4-(2-chlorobenzoyl)-3,5-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.081871076 u
Formula C16H16ClNO3
InChI InChI=1S/C16H16ClNO3/c1-4-21-16(20)14-9(2)13(10(3)18-14)15(19)11-7-5-6-8-12(11)17/h5-8,18H,4H2,1-3H3
InChIKey IJNDRMGKGFHDHH-UHFFFAOYSA-N
Molecular Weight 305.761 g/mol
SMILES C=1(C(=C(C(=O)OCC)NC1C)C)C(C=1C(=CC=CC1)Cl)=O