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2-Tert-butyl-5-(3-chloro-2-methyl-propyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Tert-butyl-5-(3-chloro-2-methyl-propyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID EPtb6RTDkNv
InChI InChI=1S/C13H24N2O3.C4H9Cl/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6;1-4(2)3-5/h10H,8H2,1-7H3;4H,3H2,1-2H3
InChIKey FCKIMTKGIRKLKU-UHFFFAOYSA-N
Mol Weight 348.91 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 IAAbi9G7iFQ
Name 2-Tert-butyl-5-(3-chloro-2-methyl-propyl)-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 348.217970628 u
Formula C17H33ClN2O3
InChI InChI=1S/C13H24N2O3.C4H9Cl/c1-12(2,3)10-14(7)9(16)8-15(10)11(17)18-13(4,5)6;1-4(2)3-5/h10H,8H2,1-7H3;4H,3H2,1-2H3
InChIKey FCKIMTKGIRKLKU-UHFFFAOYSA-N
Molecular Weight 348.915 g/mol
Nominal Mass 348 u
SMILES CC(CCl)C.C1N(C(N(C1=O)C)C(C)(C)C)C(=O)OC(C)(C)C