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Dimethyl (2E)-2-[1-(2'-furyl)-3,4-dihydroisoquinolin-2(1H)-yl]but-2-endioate
SpectraBase Compound ID 8XYDieJSB4z
InChI InChI=1S/C19H19NO5/c1-23-17(21)12-15(19(22)24-2)20-10-9-13-6-3-4-7-14(13)18(20)16-8-5-11-25-16/h3-8,11-12,18H,9-10H2,1-2H3/b15-12+
InChIKey TWGOILMCDHPQMI-NTCAYCPXSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AgYsHDUJlHo
Name Dimethyl (2E)-2-[1-(2'-furyl)-3,4-dihydroisoquinolin-2(1H)-yl]but-2-endioate
Comments Computed using HOSE algorithm
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Exact Mass 341.126322711 u
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-23-17(21)12-15(19(22)24-2)20-10-9-13-6-3-4-7-14(13)18(20)16-8-5-11-25-16/h3-8,11-12,18H,9-10H2,1-2H3/b15-12+
InChIKey TWGOILMCDHPQMI-NTCAYCPXSA-N
Molecular Weight 341.363 g/mol
SMILES C(\C=C/(N1C(C=2OC=CC2)C=2C=CC=CC2CC1)C(=O)OC)(=O)OC