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Tert-butyl 2-(4-methoxyphenyl)-4-(2-phenylethynyl)-1H-pyrrole-1-carboxylate

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

Tert-butyl 2-(4-methoxyphenyl)-4-(2-phenylethynyl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID JDECjn8ev3h
InChI InChI=1S/C24H23NO3/c1-24(2,3)28-23(26)25-17-19(11-10-18-8-6-5-7-9-18)16-22(25)20-12-14-21(27-4)15-13-20/h5-9,12-17H,1-4H3
InChIKey RMKWGTWTSLJITD-UHFFFAOYSA-N
Mol Weight 373.45 g/mol
Molecular Formula C24H23NO3
Exact Mass 373.167794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HYYd9fzs2Pv
Name Tert-butyl 2-(4-methoxyphenyl)-4-(2-phenylethynyl)-1H-pyrrole-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 373.167793602 u
Formula C24H23NO3
InChI InChI=1S/C24H23NO3/c1-24(2,3)28-23(26)25-17-19(11-10-18-8-6-5-7-9-18)16-22(25)20-12-14-21(27-4)15-13-20/h5-9,12-17H,1-4H3
InChIKey RMKWGTWTSLJITD-UHFFFAOYSA-N
Molecular Weight 373.452 g/mol
SMILES C1=C(C=2C=CC(=CC2)OC)N(C=C1C#CC1=CC=CC=C1)C(=O)OC(C)(C)C