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3-TRIFLUOROMETHYL-3-HYDROXY-2-METHYLENE-5-PHENYL-4-PENTYNONITRILE
SpectraBase Compound ID 9mkcAAwGFnY
InChI InChI=1S/C13H8F3NO/c1-10(9-17)12(18,13(14,15)16)8-7-11-5-3-2-4-6-11/h2-6,18H,1H2
InChIKey CZLCLLRQGKRJRR-UHFFFAOYSA-N
Mol Weight 251.21 g/mol
Molecular Formula C13H8F3NO
Exact Mass 251.055798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GpM1CvEBn4B
Name 3-TRIFLUOROMETHYL-3-HYDROXY-2-METHYLENE-5-PHENYL-4-PENTYNONITRILE
Compound Number 20D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H8F3NO
InChI InChI=1S/C13H8F3NO/c1-10(9-17)12(18,13(14,15)16)8-7-11-5-3-2-4-6-11/h2-6,18H,1H2
InChIKey CZLCLLRQGKRJRR-UHFFFAOYSA-N
Literature Reference Author M.V.R.REDDY,M.T.RUDD,P.V.RAMACHANDRAN
Literature Reference Citation J.ORG.CHEM.,67,5382(2002)
Literature Reference DOI 10.1021/jo025591l
Molecular Weight 251.208 g/mol
Solvent CDCl3
Source File Reference UWVN23428