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2',6'-Di(2-chlorocinnamoyloxy)acetophenone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2',6'-Di(2-chlorocinnamoyloxy)acetophenone
SpectraBase Compound ID EqL42ia1NSO
InChI InChI=1S/C26H18Cl2O5/c1-17(29)26-22(32-24(30)15-13-18-7-2-4-9-20(18)27)11-6-12-23(26)33-25(31)16-14-19-8-3-5-10-21(19)28/h2-16H,1H3/b15-13+,16-14+
InChIKey HHNYBESXHNFJOP-WXUKJITCSA-N
Mol Weight 481.33 g/mol
Molecular Formula C26H18Cl2O5
Exact Mass 480.053129 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19kjDD6LKrp
Name 2',6'-di(2-Chlorocinnamoyloxy)acetophenone
Comments Computed using HOSE algorithm
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Exact Mass 480.053129075 u
Formula C26H18Cl2O5
InChI InChI=1S/C26H18Cl2O5/c1-17(29)26-22(32-24(30)15-13-18-7-2-4-9-20(18)27)11-6-12-23(26)33-25(31)16-14-19-8-3-5-10-21(19)28/h2-16H,1H3/b15-13+,16-14+
InChIKey HHNYBESXHNFJOP-WXUKJITCSA-N
Molecular Weight 481.331 g/mol
SMILES C=1(C(OC(\C=C\C=2C(Cl)=CC=CC2)=O)=CC=CC1OC(\C=C\C=1C(Cl)=CC=CC1)=O)C(=O)C