2-([Diethoxycarbonyl][isobutoxy]-methylamino)-4,6 -dinitro-benzoic acid, isobutyl ester

SpectraBase Compound ID	LrgAdUB3epV
InChI	InChI=1S/C22H31N3O11/c1-7-33-20(27)22(21(28)34-8-2,36-12-14(5)6)23-16-9-15(24(29)30)10-17(25(31)32)18(16)19(26)35-11-13(3)4/h9-10,13-14,23H,7-8,11-12H2,1-6H3
InChIKey	NCLWIZFXFVWYAS-UHFFFAOYSA-N Google Search
Mol Weight	513.5 g/mol
Molecular Formula	C22H31N3O11
Exact Mass	513.195859 g/mol

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SpectraBase Spectrum ID	LNn5MuM0uqJ
Name	2-([Diethoxycarbonyl][isobutoxy]-methylamino)-4,6 -dinitro-benzoic acid, isobutyl ester
CAS Registry Number	128609-48-3
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C22H31N3O11
InChI	InChI=1S/C22H31N3O11/c1-7-33-20(27)22(21(28)34-8-2,36-12-14(5)6)23-16-9-15(24(29)30)10-17(25(31)32)18(16)19(26)35-11-13(3)4/h9-10,13-14,23H,7-8,11-12H2,1-6H3
InChIKey	NCLWIZFXFVWYAS-UHFFFAOYSA-N
Instrument Name	Jeol FX-90
Literature Reference	S. Wnuk, E. Wyrzykiewicz, E. Kaczmarek, Magn. Res. Chem. 28, 271 (1990).
NMR Standard	TMS
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	CDCl3