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2-t-Butyl-5-(3-chloropropyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, t-butyl ester

View entire compound with spectra: 1 NMR, and 3 MS (GC)

2-t-Butyl-5-(3-chloropropyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, t-butyl ester
SpectraBase Compound ID ApyQuqb8vCp
InChI InChI=1S/C16H29ClN2O3/c1-15(2,3)13-18(7)12(20)11(9-8-10-17)19(13)14(21)22-16(4,5)6/h11,13H,8-10H2,1-7H3
InChIKey XMKCJLQHHRWPTA-UHFFFAOYSA-N
Mol Weight 332.87 g/mol
Molecular Formula C16H29ClN2O3
Exact Mass 332.18667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID By3tnDSEI40
Name 2-T-Butyl-5-(3-chloropropyl)-3-methyl-4-oxoimidazolidine-1-carboxylic acid, T-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.186670499 u
Formula C16H29ClN2O3
InChI InChI=1S/C16H29ClN2O3/c1-15(2,3)13-18(7)12(20)11(9-8-10-17)19(13)14(21)22-16(4,5)6/h11,13H,8-10H2,1-7H3
InChIKey XMKCJLQHHRWPTA-UHFFFAOYSA-N
Molecular Weight 332.872 g/mol
SMILES CC(C1N(C)C(=O)C(N1C(=O)OC(C)(C)C)CCCCl)(C)C