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2'-(N-Propyl)oxy-3,4,4'-trimethoxychalcone (isomer 1)

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

2'-(N-Propyl)oxy-3,4,4'-trimethoxychalcone (isomer 1)
SpectraBase Compound ID GBYf2Nc7Efy
InChI InChI=1S/C21H24O5/c1-5-12-26-20-14-16(23-2)8-9-17(20)18(22)10-6-15-7-11-19(24-3)21(13-15)25-4/h6-11,13-14H,5,12H2,1-4H3/b10-6+
InChIKey ZDHYGAZXVIBTDK-UXBLZVDNSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0x797353W3
Name 2'-(N-Propyl)oxy-3,4,4'-trimethoxychalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-5-12-26-20-14-16(23-2)8-9-17(20)18(22)10-6-15-7-11-19(24-3)21(13-15)25-4/h6-11,13-14H,5,12H2,1-4H3/b10-6+
InChIKey ZDHYGAZXVIBTDK-UXBLZVDNSA-N
Molecular Weight 356.418 g/mol
SMILES C1(=C(C=C(C=C1)OC)OCCC)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O