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Benzoic acid, 1-(2-tert-butyl-1-methyl-5-oxo-imidazolidin-4-yl)-2-methylpropyl ester
SpectraBase Compound ID 539nZDEL9os
InChI InChI=1S/C11H14O2.C8H16N2O/c1-9(2)8-13-11(12)10-6-4-3-5-7-10;1-8(2,3)7-9-5-6(11)10(7)4/h3-7,9H,8H2,1-2H3;7,9H,5H2,1-4H3
InChIKey PNBJCGYMGYKDQN-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C19H30N2O3
Exact Mass 334.225643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XxjI3E3N5h
Name Benzoic acid, 1-(2-tert-butyl-1-methyl-5-oxo-imidazolidin-4-yl)-2-methylpropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.225642831 u
Formula C19H30N2O3
InChI InChI=1S/C11H14O2.C8H16N2O/c1-9(2)8-13-11(12)10-6-4-3-5-7-10;1-8(2,3)7-9-5-6(11)10(7)4/h3-7,9H,8H2,1-2H3;7,9H,5H2,1-4H3
InChIKey PNBJCGYMGYKDQN-UHFFFAOYSA-N
Molecular Weight 334.460 g/mol
Nominal Mass 334 u
SMILES N1C(N(C(C1)=O)C)C(C)(C)C.c1(ccccc1)C(=O)OCC(C)C