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4',6'-Dimethoxy-4-dimethylamino-2'-(heptafluorobutyryl)oxychalcone (isomer 1)

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4',6'-Dimethoxy-4-dimethylamino-2'-(heptafluorobutyryl)oxychalcone (isomer 1)
SpectraBase Compound ID tqCwdBvEQa
InChI InChI=1S/C23H20F7NO5/c1-31(2)14-8-5-13(6-9-14)7-10-16(32)19-17(35-4)11-15(34-3)12-18(19)36-20(33)21(24,25)22(26,27)23(28,29)30/h5-12H,1-4H3/b10-7+
InChIKey ZFUFGRXSOYWKLA-JXMROGBWSA-N
Mol Weight 523.4 g/mol
Molecular Formula C23H20F7NO5
Exact Mass 523.12297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvWID5G0zr3
Name 4',6'-Dimethoxy-4-dimethylamino-2'-(heptafluorobutyryl)oxychalcone (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 523.122969884 u
Formula C23H20F7NO5
InChI InChI=1S/C23H20F7NO5/c1-31(2)14-8-5-13(6-9-14)7-10-16(32)19-17(35-4)11-15(34-3)12-18(19)36-20(33)21(24,25)22(26,27)23(28,29)30/h5-12H,1-4H3/b10-7+
InChIKey ZFUFGRXSOYWKLA-JXMROGBWSA-N
Molecular Weight 523.404 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(\C=C\C=1C=CC(N(C)C)=CC1)=O