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2,4-Dimethoxy-2'-(N-butyl)oxychalcone (isomer 2)

View entire compound with spectra: 1 NMR, and 1 FTIR

2,4-Dimethoxy-2'-(N-butyl)oxychalcone (isomer 2)
SpectraBase Compound ID BLHLK2ZgELB
InChI InChI=1S/C21H24O4/c1-4-5-14-25-20-9-7-6-8-18(20)19(22)13-11-16-10-12-17(23-2)15-21(16)24-3/h6-13,15H,4-5,14H2,1-3H3/b13-11+
InChIKey UIVXLHCKKQICBH-ACCUITESSA-N
Mol Weight 340.42 g/mol
Molecular Formula C21H24O4
Exact Mass 340.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6F0JegFl7GA
Name 2,4-Dimethoxy-2'-(N-butyl)oxychalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 340.167459249 u
Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-4-5-14-25-20-9-7-6-8-18(20)19(22)13-11-16-10-12-17(23-2)15-21(16)24-3/h6-13,15H,4-5,14H2,1-3H3/b13-11+
InChIKey UIVXLHCKKQICBH-ACCUITESSA-N
Molecular Weight 340.419 g/mol
SMILES C1(=C(C=CC=C1)OCCCC)C(\C=C\C=1C=CC(OC)=CC1OC)=O