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2-Butenoic acid, 4-[2-[[(2-methoxy-1-methyl-2-oxoethyl)imino]methyl]phenoxy]-, methyl ester
SpectraBase Compound ID BdgLDgScNFi
InChI InChI=1S/C16H19NO5/c1-12(16(19)21-3)17-11-13-7-4-5-8-14(13)22-10-6-9-15(18)20-2/h4-9,11-12H,10H2,1-3H3/b9-6+,17-11+
InChIKey YWHHZBFFLXOWBM-OEMBIGBOSA-N
Mol Weight 305.33 g/mol
Molecular Formula C16H19NO5
Exact Mass 305.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DK0Cq7mXSNV
Name 2-Butenoic acid, 4-[2-[[(2-methoxy-1-methyl-2-oxoethyl)imino]methyl]phenoxy]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 305.126322711 u
Formula C16H19NO5
InChI InChI=1S/C16H19NO5/c1-12(16(19)21-3)17-11-13-7-4-5-8-14(13)22-10-6-9-15(18)20-2/h4-9,11-12H,10H2,1-3H3/b9-6+,17-11+
InChIKey YWHHZBFFLXOWBM-OEMBIGBOSA-N
Molecular Weight 305.330 g/mol
SMILES C=1(\C=N\C(C(=O)OC)C)C(OC\C=C\C(=O)OC)=CC=CC1