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N-(Methylene-4-oxocoumarinyl)glutamine

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

N-(Methylene-4-oxocoumarinyl)glutamine
SpectraBase Compound ID G7uldGfiOpV
InChI InChI=1S/C15H14N2O6/c16-14(21)10(5-6-12(18)19)17-7-9-13(20)8-3-1-2-4-11(8)23-15(9)22/h1-4,7,10,17H,5-6H2,(H2,16,21)(H,18,19)/b9-7-/t10-/m1/s1
InChIKey NSWJZSAVGBFCMG-UJICNMFASA-N
Mol Weight 318.28 g/mol
Molecular Formula C15H14N2O6
Exact Mass 318.085186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2odAOVG8gg6
Name N-(Methylene-4-oxocoumarinyl)glutamine
Comments Computed using HOSE algorithm
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Exact Mass 318.085186173 u
Formula C15H14N2O6
InChI InChI=1S/C15H14N2O6/c16-14(21)10(5-6-12(18)19)17-7-9-13(20)8-3-1-2-4-11(8)23-15(9)22/h1-4,7,10,17H,5-6H2,(H2,16,21)(H,18,19)/b9-7-/t10-/m1/s1
InChIKey NSWJZSAVGBFCMG-UJICNMFASA-N
Molecular Weight 318.285 g/mol
SMILES C1(\C(C(C2=C(O1)C=CC=C2)=O)=C/N[C@@](C(=O)N)(CCC(=O)O)[H])=O