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N-Acetyl-L-glutamine, N'-(N-butyl)-, N-butyl ester
SpectraBase Compound ID C0NlYp9lgud
InChI InChI=1S/C15H28N2O4/c1-4-6-10-16-13(15(20)21-11-7-5-2)8-9-14(19)17-12(3)18/h13,16H,4-11H2,1-3H3,(H,17,18,19)
InChIKey NMLUBSXVRAWIHC-UHFFFAOYSA-N
Mol Weight 300.4 g/mol
Molecular Formula C15H28N2O4
Exact Mass 300.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gz3C2ogB1s8
Name N-Acetyl-L-glutamine, N'-(N-butyl)-, N-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 300.204907386 u
Formula C15H28N2O4
InChI InChI=1S/C15H28N2O4/c1-4-6-10-16-13(15(20)21-11-7-5-2)8-9-14(19)17-12(3)18/h13,16H,4-11H2,1-3H3,(H,17,18,19)
InChIKey NMLUBSXVRAWIHC-UHFFFAOYSA-N
SMILES CC(NC(CCC(C(OCCCC)=O)NCCCC)=O)=O