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3-methylbutyric acid [4-[2-(isovalerylamino)ethyl]-2-nitro-phenyl] ester
SpectraBase Compound ID 8iWI34IleqJ
InChI InChI=1S/C18H26N2O5/c1-12(2)9-17(21)19-8-7-14-5-6-16(15(11-14)20(23)24)25-18(22)10-13(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,19,21)
InChIKey BXLLBWMGODNDFX-UHFFFAOYSA-N
Mol Weight 350.42 g/mol
Molecular Formula C18H26N2O5
Exact Mass 350.184172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73yyNtqOmkw
Name 3-methylbutyric acid [4-[2-(isovalerylamino)ethyl]-2-nitro-phenyl] ester
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N2O5
InChI InChI=1S/C18H26N2O5/c1-12(2)9-17(21)19-8-7-14-5-6-16(15(11-14)20(23)24)25-18(22)10-13(3)4/h5-6,11-13H,7-10H2,1-4H3,(H,19,21)
InChIKey BXLLBWMGODNDFX-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 350.415 g/mol
Solvent CDCl3
Source File Reference WANG2337