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2-(ALPHA-BENZALACETONITRILO)-5-(4-MEHYLPHENYL)-1,3,4-OXADIAZINE-HYDROCHLORIDE
SpectraBase Compound ID GBja8vZFpa
InChI InChI=1S/C19H15N3O.ClH/c1-14-7-9-16(10-8-14)18-13-23-19(22-21-18)17(12-20)11-15-5-3-2-4-6-15;/h2-11H,13H2,1H3;1H/b17-11+;
InChIKey KZNHONJZYLVVAN-SJDTYFKWSA-N
Mol Weight 337.81 g/mol
Molecular Formula C19H16ClN3O
Exact Mass 337.09819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhNz3uFnX1
Name 2-(ALPHA-BENZALACETONITRILO)-5-(4-MEHYLPHENYL)-1,3,4-OXADIAZINE-HYDROCHLORIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16ClN3O
InChI InChI=1S/C19H15N3O.ClH/c1-14-7-9-16(10-8-14)18-13-23-19(22-21-18)17(12-20)11-15-5-3-2-4-6-15;/h2-11H,13H2,1H3;1H/b17-11+;
InChIKey KZNHONJZYLVVAN-SJDTYFKWSA-N
Literature Reference Author R.M.MOHAREB,A.A.MOHAMED
Literature Reference Citation MOLECULES,15,3602(2010)
Literature Reference DOI 10.3390/molecules15053602
Molecular Weight 337.809 g/mol
Sample ID 70421
Solvent DMSO-D6