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Benzyl 1-tert-butyl-2-ethyl-4-phenyl-1H-pyrrole-3-carboxylate

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

Benzyl 1-tert-butyl-2-ethyl-4-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID LSObP7MfcwH
InChI InChI=1S/C24H27NO2/c1-5-21-22(23(26)27-17-18-12-8-6-9-13-18)20(16-25(21)24(2,3)4)19-14-10-7-11-15-19/h6-16H,5,17H2,1-4H3
InChIKey NTNMJRKHBGACMX-UHFFFAOYSA-N
Mol Weight 361.49 g/mol
Molecular Formula C24H27NO2
Exact Mass 361.204179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aak77XusNm
Name Benzyl 1-tert-butyl-2-ethyl-4-phenyl-1H-pyrrole-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.204179111 u
Formula C24H27NO2
InChI InChI=1S/C24H27NO2/c1-5-21-22(23(26)27-17-18-12-8-6-9-13-18)20(16-25(21)24(2,3)4)19-14-10-7-11-15-19/h6-16H,5,17H2,1-4H3
InChIKey NTNMJRKHBGACMX-UHFFFAOYSA-N
Molecular Weight 361.485 g/mol
SMILES C1(=C(N(C(C)(C)C)C=C1C1=CC=CC=C1)CC)C(OCC=1C=CC=CC1)=O