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2-Tert-butyl-5-(hydroxypyridin-4-ylmethyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID 1Lon3j7vc65
InChI InChI=1S/C13H24N2O3.C6H7NO/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6;8-5-6-1-3-7-4-2-6/h10H,8H2,1-7H3;1-4,8H,5H2
InChIKey RQSOMEMETSVSFP-UHFFFAOYSA-N
Mol Weight 365.47 g/mol
Molecular Formula C19H31N3O4
Exact Mass 365.231456 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I6ANg6B6q9U
Name 2-Tert-butyl-5-(hydroxypyridin-4-ylmethyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.231456486 u
Formula C19H31N3O4
InChI InChI=1S/C13H24N2O3.C6H7NO/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6;8-5-6-1-3-7-4-2-6/h10H,8H2,1-7H3;1-4,8H,5H2
InChIKey RQSOMEMETSVSFP-UHFFFAOYSA-N
Molecular Weight 365.474 g/mol
Nominal Mass 365 u
SMILES C1N(C(C(C)(C)C)N(C)C1=O)C(=O)OC(C)(C)C.OCc1ccncc1