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Glycine, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-, ethyl ester
SpectraBase Compound ID F0Bc6G6lqnx
InChI InChI=1S/C15H12N2O4/c1-2-21-12(18)8-17-11(7-16)13-14(19)9-5-3-4-6-10(9)15(13)20/h3-6,17H,2,8H2,1H3
InChIKey WGKYRTZKXVZCOZ-UHFFFAOYSA-N
Mol Weight 284.27 g/mol
Molecular Formula C15H12N2O4
Exact Mass 284.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73unUS7yXP7
Name Glycine, N-[cyano(1,3-dihydro-1,3-dioxo-2H-inden-2-ylidene)methyl]-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 284.079706870 u
Formula C15H12N2O4
InChI InChI=1S/C15H12N2O4/c1-2-21-12(18)8-17-11(7-16)13-14(19)9-5-3-4-6-10(9)15(13)20/h3-6,17H,2,8H2,1H3
InChIKey WGKYRTZKXVZCOZ-UHFFFAOYSA-N
SMILES C1(C(C=2C=CC=CC2C1=O)=O)=C(C#N)NCC(=O)OCC