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CIS-2-BENZYL-4-(3,4-DIMETHOXYPHENYL)-4A,5,6,7,8,8A-HEXAHYDRO-2H-PHTHALAZIN-1-ONE
SpectraBase Compound ID 2QQXinjuxq
InChI InChI=1S/C23H26N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-18-10-6-7-11-19(18)23(26)25(24-22)15-16-8-4-3-5-9-16/h3-5,8-9,12-14,18-19H,6-7,10-11,15H2,1-2H3/t18-,19+/m1/s1
InChIKey SPNSPIATZGICGL-MOPGFXCFSA-N
Mol Weight 378.47 g/mol
Molecular Formula C23H26N2O3
Exact Mass 378.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCiNo4wOhen
Name CIS-2-BENZYL-4-(3,4-DIMETHOXYPHENYL)-4A,5,6,7,8,8A-HEXAHYDRO-2H-PHTHALAZIN-1-ONE
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26N2O3
InChI InChI=1S/C23H26N2O3/c1-27-20-13-12-17(14-21(20)28-2)22-18-10-6-7-11-19(18)23(26)25(24-22)15-16-8-4-3-5-9-16/h3-5,8-9,12-14,18-19H,6-7,10-11,15H2,1-2H3/t18-,19+/m1/s1
InChIKey SPNSPIATZGICGL-MOPGFXCFSA-N
Literature Reference Author M.V.D.MEY,A.HATZELMANN,I.J.V.D.LAAN,G.J.STERK,U.THIBAUT,H.TI MMERMAN
Literature Reference Citation J.MED.CHEM.,44,2511(2001)
Literature Reference DOI 10.1021/jm010837k
Molecular Weight 378.471 g/mol
Sample ID 44661
Solvent CDCl3