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3-[2-METHOXY-4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-PHENYL]-[2,3-D2]-PROPANENITRILE
SpectraBase Compound ID 1YJOKQUpWQM
InChI InChI=1S/C12H10F3N3O/c1-19-10-7-9(5-4-8(10)3-2-6-16)11(17-18-11)12(13,14)15/h4-5,7H,2-3H2,1H3/i2D,3D
InChIKey RKZNIZSQIINQBD-PBNXXWCMSA-N
Mol Weight 271.24 g/mol
Molecular Formula C12H82H2F3N3O
Exact Mass 271.09015 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gIWpMI9Ib2
Name 3-[2-METHOXY-4-[3-(TRIFLUOROMETHYL)-3H-DIAZIRIN-3-YL]-PHENYL]-[2,3-D2]-PROPANENITRILE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H82H2F3N3O
InChI InChI=1S/C12H10F3N3O/c1-19-10-7-9(5-4-8(10)3-2-6-16)11(17-18-11)12(13,14)15/h4-5,7H,2-3H2,1H3/i2D,3D
InChIKey RKZNIZSQIINQBD-PBNXXWCMSA-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 UWLU56627