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(phenylmethyl) 3-methyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylate

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

(phenylmethyl) 3-methyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID CXagAkBnGSu
InChI InChI=1S/C20H17NO3/c1-14-17(19(22)16-10-6-3-7-11-16)12-21-18(14)20(23)24-13-15-8-4-2-5-9-15/h2-12,21H,13H2,1H3
InChIKey IVZRPNUKBWXGRF-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C20H17NO3
Exact Mass 319.120843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HoFkAY54n3K
Name (Phenylmethyl) 3-methyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 319.120843408 u
Formula C20H17NO3
InChI InChI=1S/C20H17NO3/c1-14-17(19(22)16-10-6-3-7-11-16)12-21-18(14)20(23)24-13-15-8-4-2-5-9-15/h2-12,21H,13H2,1H3
InChIKey IVZRPNUKBWXGRF-UHFFFAOYSA-N
Molecular Weight 319.360 g/mol
SMILES C=1(C(=C(C(OCC=2C=CC=CC2)=O)NC1)C)C(=O)C1=CC=CC=C1