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glutamine, N~2~-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-
SpectraBase Compound ID 47X1rFzKe8l
InChI InChI=1S/C16H16ClN3O5/c1-8-13(14(20-25-8)9-4-2-3-5-10(9)17)15(22)19-11(16(23)24)6-7-12(18)21/h2-5,11H,6-7H2,1H3,(H2,18,21)(H,19,22)(H,23,24)
InChIKey NXEMZXBNHFUICE-UHFFFAOYSA-N
Mol Weight 365.77 g/mol
Molecular Formula C16H16ClN3O5
Exact Mass 365.077848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Weg2rpjCyL
Name Glutamine, N~2~-[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 365.077848322 u
Formula C16H16ClN3O5
InChI InChI=1S/C16H16ClN3O5/c1-8-13(14(20-25-8)9-4-2-3-5-10(9)17)15(22)19-11(16(23)24)6-7-12(18)21/h2-5,11H,6-7H2,1H3,(H2,18,21)(H,19,22)(H,23,24)
InChIKey NXEMZXBNHFUICE-UHFFFAOYSA-N
Molecular Weight 365.773 g/mol
SMILES N(C(C=1C(=NOC1C)C=1C(Cl)=CC=CC1)=O)C(CCC(=O)N)C(=O)O