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2-Tert-butyl-3,5-dimethyl-5-(2-oxiran-2-ylethyl)-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID K3X319Z72s2
InChI InChI=1S/C14H26N2O3.C4H8O/c1-9-10(17)15(8)11(13(2,3)4)16(9)12(18)19-14(5,6)7;1-2-4-3-5-4/h9,11H,1-8H3;4H,2-3H2,1H3
InChIKey GACRFDAVDUBVGN-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C18H34N2O4
Exact Mass 342.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XXw6rlYToB
Name 2-Tert-butyl-3,5-dimethyl-5-(2-oxiran-2-ylethyl)-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.251857579 u
Formula C18H34N2O4
InChI InChI=1S/C14H26N2O3.C4H8O/c1-9-10(17)15(8)11(13(2,3)4)16(9)12(18)19-14(5,6)7;1-2-4-3-5-4/h9,11H,1-8H3;4H,2-3H2,1H3
InChIKey GACRFDAVDUBVGN-UHFFFAOYSA-N
Molecular Weight 342.480 g/mol
Nominal Mass 342 u
SMILES CCC1OC1.C1(N(C(N(C1C)C(OC(C)(C)C)=O)C(C)(C)C)C)=O