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(2-HEXAHYDRO-1H-1,3-DIAZEPINYLIDENE)-(4-CHLOROPHENYL)-ACETONITRILE
SpectraBase Compound ID 4yyGXlSiOof
InChI InChI=1S/C13H14ClN3/c14-11-5-3-10(4-6-11)12(9-15)13-16-7-1-2-8-17-13/h3-6,16-17H,1-2,7-8H2
InChIKey LMXADTOZZAGLDD-UHFFFAOYSA-N
Mol Weight 247.73 g/mol
Molecular Formula C13H14ClN3
Exact Mass 247.087625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2W4asgLgVwC
Name (2-HEXAHYDRO-1H-1,3-DIAZEPINYLIDENE)-(4-CHLOROPHENYL)-ACETONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14ClN3
InChI InChI=1S/C13H14ClN3/c14-11-5-3-10(4-6-11)12(9-15)13-16-7-1-2-8-17-13/h3-6,16-17H,1-2,7-8H2
InChIKey LMXADTOZZAGLDD-UHFFFAOYSA-N
Literature Reference Author Z.T.HUANG,W.X.GAN,X.J.WANG
Literature Reference Citation J.PRAKT.CHEM.,330,724(1988)
Literature Reference DOI 10.1002/prac.19883300507
Molecular Weight 247.727 g/mol
Solvent DMSO-D6
Source File Reference UWED13696