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2-methylpropionic acid [4-[2-(isobutyrylamino)ethyl]-2-nitro-phenyl] ester
SpectraBase Compound ID 5LusEqYKcxi
InChI InChI=1S/C16H22N2O5/c1-10(2)15(19)17-8-7-12-5-6-14(13(9-12)18(21)22)23-16(20)11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)
InChIKey HONOFWWWYXHBLN-UHFFFAOYSA-N
Mol Weight 322.36 g/mol
Molecular Formula C16H22N2O5
Exact Mass 322.152872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 710Hpzui7m2
Name 2-methylpropionic acid [4-[2-(isobutyrylamino)ethyl]-2-nitro-phenyl] ester
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22N2O5
InChI InChI=1S/C16H22N2O5/c1-10(2)15(19)17-8-7-12-5-6-14(13(9-12)18(21)22)23-16(20)11(3)4/h5-6,9-11H,7-8H2,1-4H3,(H,17,19)
InChIKey HONOFWWWYXHBLN-UHFFFAOYSA-N
Literature Reference Author X.FU,F.J.SCHMITZ,R.S.TANNER
Literature Reference Citation J.NAT.PROD.,58,1950(1995)
Literature Reference DOI 10.1021/np50126a026
Molecular Weight 322.361 g/mol
Solvent CDCl3
Source File Reference WANG2336