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3-CHLORO-5,6,6-TRIMETHYL-4,5,6-TRIHYDRO-2-PHENYL-BENZO-[6,7]-CYCLOHEPTA-[1,2-C]-PYRAZOLE
SpectraBase Compound ID JtjBPUhACwz
InChI InChI=1S/C21H21ClN2/c1-14-13-17-19(16-11-7-8-12-18(16)21(14,2)3)23-24(20(17)22)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKey CSNZFCAIGHXLOB-UHFFFAOYSA-N
Mol Weight 336.87 g/mol
Molecular Formula C21H21ClN2
Exact Mass 336.139326 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BRx8OIRimgl
Name 3-CHLORO-5,6,6-TRIMETHYL-4,5,6-TRIHYDRO-2-PHENYL-BENZO-[6,7]-CYCLOHEPTA-[1,2-C]-PYRAZOLE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClN2
InChI InChI=1S/C21H21ClN2/c1-14-13-17-19(16-11-7-8-12-18(16)21(14,2)3)23-24(20(17)22)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3
InChIKey CSNZFCAIGHXLOB-UHFFFAOYSA-N
Literature Reference Author H.A.K.A.EL-AAL,A.M.A.M.EL-KHAWAGA,A.A.KHALAF
Literature Reference Citation EUR.J.CHEM.,5,277(2014)
Literature Reference DOI 10.5155/eurjchem.5.2.277-286.976
Molecular Weight 336.864 g/mol
Solvent CDCl3
Source File Reference UWIR17727