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3-[4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-PHENYL]-[2,3-D2]-PROPANENITRILE
SpectraBase Compound ID 4LQQdEv1T9Z
InChI InChI=1S/C11H8F3N3/c12-11(13,14)10(16-17-10)9-5-3-8(4-6-9)2-1-7-15/h3-6H,1-2H2/i1D,2D
InChIKey BFNPXIGWAVDAFN-QDNHWIQGSA-N
Mol Weight 241.21 g/mol
Molecular Formula C11H62H2F3N3
Exact Mass 241.079585 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mSXFqjbAOU
Name 3-[4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-PHENYL]-[2,3-D2]-PROPANENITRILE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H62H2F3N3
InChI InChI=1S/C11H8F3N3/c12-11(13,14)10(16-17-10)9-5-3-8(4-6-9)2-1-7-15/h3-6H,1-2H2/i1D,2D
InChIKey BFNPXIGWAVDAFN-QDNHWIQGSA-N
Literature Reference Author M.HASHIMOTO,Y.H.KATO,Y.HATANAKA
Literature Reference Citation CHEM.PHARM.BULL.,55,1540(2007)
Literature Reference DOI 10.1248/cpb.55.1540
Solvent CDCl3
Source File Reference UWLU56625