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2'-(N-Butyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)

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

2'-(N-Butyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)
SpectraBase Compound ID l3FPJPKuPA
InChI InChI=1S/C22H26O5/c1-5-6-13-27-21-15-18(25-3)14-20(26-4)22(21)19(23)12-9-16-7-10-17(24-2)11-8-16/h7-12,14-15H,5-6,13H2,1-4H3/b12-9+
InChIKey QAXDRLVJFAKFSQ-FMIVXFBMSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vMgOniJwXX
Name 2'-(N-Butyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-5-6-13-27-21-15-18(25-3)14-20(26-4)22(21)19(23)12-9-16-7-10-17(24-2)11-8-16/h7-12,14-15H,5-6,13H2,1-4H3/b12-9+
InChIKey QAXDRLVJFAKFSQ-FMIVXFBMSA-N
Molecular Weight 370.445 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OCCCC)C(\C=C\C=1C=CC(OC)=CC1)=O