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TRANS-3-IODO-2-METHOXY-1-METHYL-1,2,3,4-TETRAHYDROPYRIDINE-5-CARBONITRILE
SpectraBase Compound ID 95161Ja3VYh
InChI InChI=1S/C8H11IN2O/c1-11-5-6(4-10)3-7(9)8(11)12-2/h5,7-8H,3H2,1-2H3/t7-,8+/m0/s1
InChIKey MQDLOQKETROXAC-JGVFFNPUSA-N
Mol Weight 278.09 g/mol
Molecular Formula C8H11IN2O
Exact Mass 277.991608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5w8PP7kzbOH
Name TRANS-3-IODO-2-METHOXY-1-METHYL-1,2,3,4-TETRAHYDROPYRIDINE-5-CARBONITRILE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11IN2O
InChI InChI=1S/C8H11IN2O/c1-11-5-6(4-10)3-7(9)8(11)12-2/h5,7-8H,3H2,1-2H3/t7-,8+/m0/s1
InChIKey MQDLOQKETROXAC-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 278.093 g/mol
Sample ID 37063
Solvent CDCl3