6-[3-(2,2-dimethyl-1-oxopropyl)-4-hydroxy-2-(4-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]hexanoic acid

SpectraBase Compound ID	L9csIbqWssZ
InChI	InChI=1S/C21H26N2O7/c1-21(2,3)19(27)16-17(13-8-10-14(11-9-13)23(29)30)22(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)
InChIKey	JWVKTDUWXSYLSD-UHFFFAOYSA-N Google Search
Mol Weight	418.45 g/mol
Molecular Formula	C21H26N2O7
Exact Mass	418.174001 g/mol

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SpectraBase Spectrum ID	3zoNYdEafxu
Name	1H-pyrrole-1-hexanoic acid, 3-(2,2-dimethyl-1-oxopropyl)-2,5-dihydro-4-hydroxy-2-(4-nitrophenyl)-5-oxo-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	418.174001178 u
Formula	C21H26N2O7
InChI	InChI=1S/C21H26N2O7/c1-21(2,3)19(27)16-17(13-8-10-14(11-9-13)23(29)30)22(20(28)18(16)26)12-6-4-5-7-15(24)25/h8-11,17,26H,4-7,12H2,1-3H3,(H,24,25)
InChIKey	JWVKTDUWXSYLSD-UHFFFAOYSA-N
Molecular Weight	418.446 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2021_7264
Solvent	DMSO-d6
Source	Vendor ID: NMR/13307290; Lab Info: GEI; Lab Number: A2634/0112121