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2-Tert-butyl-5-(2-chloroethyl)-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID D6xMP1kaua3
InChI InChI=1S/C15H28N2O3.C2H5Cl/c1-9-10-11(18)16(8)12(14(2,3)4)17(10)13(19)20-15(5,6)7;1-2-3/h10,12H,9H2,1-8H3;2H2,1H3
InChIKey IHSONRCLIXEZRB-UHFFFAOYSA-N
Mol Weight 348.92 g/mol
Molecular Formula C17H33ClN2O3
Exact Mass 348.217971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SdnWfvfyZC
Name 2-Tert-butyl-5-(2-chloroethyl)-5-ethyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.217970628 u
Formula C17H33ClN2O3
InChI InChI=1S/C15H28N2O3.C2H5Cl/c1-9-10-11(18)16(8)12(14(2,3)4)17(10)13(19)20-15(5,6)7;1-2-3/h10,12H,9H2,1-8H3;2H2,1H3
InChIKey IHSONRCLIXEZRB-UHFFFAOYSA-N
Molecular Weight 348.915 g/mol
Nominal Mass 348 u
SMILES CCCl.C1(N(C(N(C1=O)C)C(C)(C)C)C(=O)OC(C)(C)C)CC