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4'-(Octadecyloxy)chalcone

View entire compound with spectra: 1 NMR

4'-(Octadecyloxy)chalcone
SpectraBase Compound ID Bth9x9IuVpY
InChI InChI=1S/C33H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-35-32-26-24-31(25-27-32)33(34)28-23-30-21-18-17-19-22-30/h17-19,21-28H,2-16,20,29H2,1H3/b28-23+
InChIKey UAMBYKWRQMCHBN-WEMUOSSPSA-N
Mol Weight 476.7 g/mol
Molecular Formula C33H48O2
Exact Mass 476.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FE6Z6ms1EwJ
Name 4'-(Octadecyloxy)chalcone
Comments Computed using HOSE algorithm
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Exact Mass 476.365430784 u
Formula C33H48O2
InChI InChI=1S/C33H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-35-32-26-24-31(25-27-32)33(34)28-23-30-21-18-17-19-22-30/h17-19,21-28H,2-16,20,29H2,1H3/b28-23+
InChIKey UAMBYKWRQMCHBN-WEMUOSSPSA-N
Molecular Weight 476.745 g/mol
SMILES C(=O)(\C=C\C=1C=CC=CC1)C1=CC=C(OCCCCCCCCCCCCCCCCCC)C=C1