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(4S,7R)-7,8,8-TRIMETHYL-2-(6-PHENYLPYRIDAZIN-3-YL)-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOLE
SpectraBase Compound ID IlstkpiDm4N
InChI InChI=1S/C21H22N4/c1-20(2)16-11-12-21(20,3)19-15(16)13-25(24-19)18-10-9-17(22-23-18)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3/t16-,21+/m0/s1
InChIKey FEBYTOIWVCMZPR-HRAATJIYSA-N
Mol Weight 330.44 g/mol
Molecular Formula C21H22N4
Exact Mass 330.184447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xI9zQLc4aP
Name (4S,7R)-7,8,8-TRIMETHYL-2-(6-PHENYLPYRIDAZIN-3-YL)-4,5,6,7-TETRAHYDRO-4,7-METHANO-2-H-INDAZOLE
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4
InChI InChI=1S/C21H22N4/c1-20(2)16-11-12-21(20,3)19-15(16)13-25(24-19)18-10-9-17(22-23-18)14-7-5-4-6-8-14/h4-10,13,16H,11-12H2,1-3H3/t16-,21+/m0/s1
InChIKey FEBYTOIWVCMZPR-HRAATJIYSA-N
Literature Reference Author A.A.WATSON,D.A.HOUSE,P.J.STEEL
Literature Reference Citation AUSTR.J.CHEM.,48,1549(1995)
Literature Reference DOI 10.1071/CH9951549
Molecular Weight 330.432 g/mol
Solvent CDCl3
Source File Reference UWMZ435