4-[(N-(4-tert-butylbenzoyl)anilino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

SpectraBase Compound ID	IdlYVklovyy
InChI	InChI=1S/C27H32N2O3/c1-7-32-26(31)24-18(2)23(19(3)28-24)17-29(22-11-9-8-10-12-22)25(30)20-13-15-21(16-14-20)27(4,5)6/h8-16,28H,7,17H2,1-6H3
InChIKey	LJCKTRBMQMLEGN-UHFFFAOYSA-N Google Search
Mol Weight	432.6 g/mol
Molecular Formula	C27H32N2O3
Exact Mass	432.241293 g/mol

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SpectraBase Spectrum ID	KqaxuDvjrNU
Name	1H-pyrrole-2-carboxylic acid, 4-[[[4-(1,1-dimethylethyl)benzoyl]phenylamino]methyl]-3,5-dimethyl-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	432.241292895 u
Formula	C27H32N2O3
InChI	InChI=1S/C27H32N2O3/c1-7-32-26(31)24-18(2)23(19(3)28-24)17-29(22-11-9-8-10-12-22)25(30)20-13-15-21(16-14-20)27(4,5)6/h8-16,28H,7,17H2,1-6H3
InChIKey	LJCKTRBMQMLEGN-UHFFFAOYSA-N
Molecular Weight	432.564 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16316
Solvent	DMSO-d6
Source	Vendor ID: NMR/10310774; Lab Info: KOVA; Lab Number: KOVA-0000005