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TRANS-3-FLUORO-2-METHOXY-1-METHYL-1,2,3,4-TETRAHYDROPYRIDINE-5-CARBONITRILE
SpectraBase Compound ID 6qcpvg7Ombl
InChI InChI=1S/C8H11FN2O/c1-11-5-6(4-10)3-7(9)8(11)12-2/h5,7-8H,3H2,1-2H3/t7-,8+/m0/s1
InChIKey IWZQELDBJBUUOT-JGVFFNPUSA-N
Mol Weight 170.19 g/mol
Molecular Formula C8H11FN2O
Exact Mass 170.085541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J14R8DSzMeK
Name TRANS-3-FLUORO-2-METHOXY-1-METHYL-1,2,3,4-TETRAHYDROPYRIDINE-5-CARBONITRILE
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11FN2O
InChI InChI=1S/C8H11FN2O/c1-11-5-6(4-10)3-7(9)8(11)12-2/h5,7-8H,3H2,1-2H3/t7-,8+/m0/s1
InChIKey IWZQELDBJBUUOT-JGVFFNPUSA-N
Literature Reference Author R.LAVILLA,O.COLL,R.KUMAR,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,63,2728(1998)
Literature Reference DOI 10.1021/jo971947v
Molecular Weight 170.187 g/mol
Sample ID 37064
Solvent CDCl3