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Propenoic acid, 2-cyano-3-[5-(3-trifluoromethylphenyl)-2-furyl]-, 2-chloroethyl ester
SpectraBase Compound ID 4aN7uwRIEqt
InChI InChI=1S/C17H11ClF3NO3/c18-6-7-24-16(23)12(10-22)9-14-4-5-15(25-14)11-2-1-3-13(8-11)17(19,20)21/h1-5,8-9H,6-7H2/b12-9+
InChIKey ZNFWKSJIFPOTBW-FMIVXFBMSA-N
Mol Weight 369.73 g/mol
Molecular Formula C17H11ClF3NO3
Exact Mass 369.037955 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uHEkNZzFAZ
Name Propenoic acid, 2-cyano-3-[5-(3-trifluoromethylphenyl)-2-furyl]-, 2-chloroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 369.037955404 u
Formula C17H11ClF3NO3
InChI InChI=1S/C17H11ClF3NO3/c18-6-7-24-16(23)12(10-22)9-14-4-5-15(25-14)11-2-1-3-13(8-11)17(19,20)21/h1-5,8-9H,6-7H2/b12-9+
InChIKey ZNFWKSJIFPOTBW-FMIVXFBMSA-N
Molecular Weight 369.727 g/mol
SMILES C=1(\C=C\(C(=O)OCCCl)C#N)OC(C2=CC(C(F)(F)F)=CC=C2)=CC1