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Fumaric acid, 2,6-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,6-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID JcnXpybEOkZ
InChI InChI=1S/C13H8Cl2F4O4/c14-7-2-1-3-8(15)11(7)23-10(21)5-4-9(20)22-6-13(18,19)12(16)17/h1-5,12H,6H2/b5-4+
InChIKey XRNWDXJNFWHLLB-SNAWJCMRSA-N
Mol Weight 375.1 g/mol
Molecular Formula C13H8Cl2F4O4
Exact Mass 373.973577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mSQa0ZdtWN
Name Fumaric acid, 2,6-dichlorophenyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 373.973576786 u
Formula C13H8Cl2F4O4
InChI InChI=1S/C13H8Cl2F4O4/c14-7-2-1-3-8(15)11(7)23-10(21)5-4-9(20)22-6-13(18,19)12(16)17/h1-5,12H,6H2/b5-4+
InChIKey XRNWDXJNFWHLLB-SNAWJCMRSA-N
Molecular Weight 375.103 g/mol
SMILES C(\C=C\C(OCC(C(F)F)(F)F)=O)(OC1=C(C=CC=C1Cl)Cl)=O