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2-{1-[N-(2-(3,4-dimethoxyphenyl)ethyl)amino]-2,2-diethoxyethylidene}butyrolactone
SpectraBase Compound ID 8NQVupiXGM1
InChI InChI=1S/C20H29NO6/c1-5-25-20(26-6-2)18(15-10-12-27-19(15)22)21-11-9-14-7-8-16(23-3)17(13-14)24-4/h7-8,13,20-21H,5-6,9-12H2,1-4H3/b18-15+
InChIKey PKESEQCMOMAVBU-OBGWFSINSA-N
Mol Weight 379.45 g/mol
Molecular Formula C20H29NO6
Exact Mass 379.199488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2frpBsIZ1r
Name 2-{1-[N-(2-(3,4-Dimethoxyphenyl)ethyl)amino]-2,2-diethoxyethylidene}butyrolactone
Comments Computed using HOSE algorithm
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Exact Mass 379.199487652 u
Formula C20H29NO6
InChI InChI=1S/C20H29NO6/c1-5-25-20(26-6-2)18(15-10-12-27-19(15)22)21-11-9-14-7-8-16(23-3)17(13-14)24-4/h7-8,13,20-21H,5-6,9-12H2,1-4H3/b18-15+
InChIKey PKESEQCMOMAVBU-OBGWFSINSA-N
Molecular Weight 379.453 g/mol
SMILES C(\C(=C/1C(OCC1)=O)NCCC=1C=C(OC)C(=CC1)OC)(OCC)OCC