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2'-(Heptafluorobutyryl)oxy-2,4,5-trimethoxychalcone

View entire compound with spectra: 1 NMR

2'-(Heptafluorobutyryl)oxy-2,4,5-trimethoxychalcone
SpectraBase Compound ID 7v1ME1V1pR0
InChI InChI=1S/C22H17F7O6/c1-32-16-11-18(34-3)17(33-2)10-12(16)8-9-14(30)13-6-4-5-7-15(13)35-19(31)20(23,24)21(25,26)22(27,28)29/h4-11H,1-3H3/b9-8+
InChIKey YTIUADMRSAJILM-CMDGGOBGSA-N
Mol Weight 510.36 g/mol
Molecular Formula C22H17F7O6
Exact Mass 510.091335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxKYNvOnUkN
Name 2'-(Heptafluorobutyryl)oxy-2,4,5-trimethoxychalcone
Comments Computed using HOSE algorithm
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Exact Mass 510.091335402 u
Formula C22H17F7O6
InChI InChI=1S/C22H17F7O6/c1-32-16-11-18(34-3)17(33-2)10-12(16)8-9-14(30)13-6-4-5-7-15(13)35-19(31)20(23,24)21(25,26)22(27,28)29/h4-11H,1-3H3/b9-8+
InChIKey YTIUADMRSAJILM-CMDGGOBGSA-N
Molecular Weight 510.361 g/mol
SMILES C1(=CC=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(\C=C\C1=CC(=C(C=C1OC)OC)OC)=O