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Hexanoic acid, 6-(5-methyl-2-oxoimidazolidin-4-yl)-, (3-ethylphenyl)amide
SpectraBase Compound ID JbejsC5PIk4
InChI InChI=1S/C18H27N3O2/c1-3-14-8-7-9-15(12-14)20-17(22)11-6-4-5-10-16-13(2)19-18(23)21-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKey LCMCFIMDFHOMQO-UHFFFAOYSA-N
Mol Weight 317.43 g/mol
Molecular Formula C18H27N3O2
Exact Mass 317.210327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G86SHJMvcde
Name Hexanoic acid, 6-(5-methyl-2-oxoimidazolidin-4-yl)-, (3-ethylphenyl)amide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.210327119 u
Formula C18H27N3O2
InChI InChI=1S/C18H27N3O2/c1-3-14-8-7-9-15(12-14)20-17(22)11-6-4-5-10-16-13(2)19-18(23)21-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,20,22)(H2,19,21,23)
InChIKey LCMCFIMDFHOMQO-UHFFFAOYSA-N
Molecular Weight 317.433 g/mol
SMILES C1(C(NC(N1)=O)C)CCCCCC(NC1=CC(=CC=C1)CC)=O