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3,3',3'',3'''-[(6-CHLORO-1,3,5-TRIAZINE-2,4-DIYL)-DINITRILO]-TETRAKISPROPANENITRILE
SpectraBase Compound ID HzY0GQI6TVU
InChI InChI=1S/C15H16ClN9/c16-13-21-14(24(9-1-5-17)10-2-6-18)23-15(22-13)25(11-3-7-19)12-4-8-20/h1-4,9-12H2
InChIKey UBYOWBXGSXBNRT-UHFFFAOYSA-N
Mol Weight 357.81 g/mol
Molecular Formula C15H16ClN9
Exact Mass 357.121719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LKP0ZKOTJVb
Name 3,3',3'',3'''-[(6-CHLORO-1,3,5-TRIAZINE-2,4-DIYL)-DINITRILO]-TETRAKISPROPANENITRILE
CAS Registry Number 856812-02-7
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H16ClN9
InChI InChI=1S/C15H16ClN9/c16-13-21-14(24(9-1-5-17)10-2-6-18)23-15(22-13)25(11-3-7-19)12-4-8-20/h1-4,9-12H2
InChIKey UBYOWBXGSXBNRT-UHFFFAOYSA-N
Literature Reference Author N.MIBU,K.YOKOMIZO,S.TAKEMURA,N.UEKI,S.ITOHARA,J.ZHOU,T.MIYAT A,K.SUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,61,823(2013)
Literature Reference DOI 10.1248/cpb.c13-00308
Molecular Weight 357.805 g/mol
Source File Reference UWIR4111