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Zearalenone bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

Zearalenone bis(trifluoroacetate)
SpectraBase Compound ID HGflQ6jkB92
InChI InChI=1S/C22H20F6O7/c1-12-6-5-9-14(29)8-4-2-3-7-13-10-15(34-19(31)21(23,24)25)11-16(17(13)18(30)33-12)35-20(32)22(26,27)28/h3,7,10-12H,2,4-6,8-9H2,1H3/b7-3+
InChIKey HPXZUGAUANXHJR-XVNBXDOJSA-N
Mol Weight 510.39 g/mol
Molecular Formula C22H20F6O7
Exact Mass 510.111322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G7dpJmqYKGp
Name Zearalenone bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.111321955 u
Formula C22H20F6O7
InChI InChI=1S/C22H20F6O7/c1-12-6-5-9-14(29)8-4-2-3-7-13-10-15(34-19(31)21(23,24)25)11-16(17(13)18(30)33-12)35-20(32)22(26,27)28/h3,7,10-12H,2,4-6,8-9H2,1H3/b7-3+
InChIKey HPXZUGAUANXHJR-XVNBXDOJSA-N
Molecular Weight 510.385 g/mol
SMILES C12=C(C(=CC(=C2)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(OC(CCCC(CCC\C=C\1)=O)C)=O