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1-BENZYL-6-(4-CHLOROPHENYL)-2-(4-METHYLPHENYL)-4-(4-METHYLSTYRYL)-2,3-DIHYDROPYRAZOLO-[3,4-B][1,4]-DIAZEPINE
SpectraBase Compound ID LDUmQyAL0hv
InChI InChI=1S/C35H31ClN4/c1-24-8-12-26(13-9-24)14-21-31-22-32(28-15-10-25(2)11-16-28)40(23-27-6-4-3-5-7-27)35-34(37-31)33(38-39-35)29-17-19-30(36)20-18-29/h3-21,32H,22-23H2,1-2H3,(H,38,39)/b21-14+
InChIKey HGNQCJAVZXBURS-KGENOOAVSA-N
Mol Weight 543.1 g/mol
Molecular Formula C35H31ClN4
Exact Mass 542.223725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AY0S6WzAhT0
Name 1-BENZYL-6-(4-CHLOROPHENYL)-2-(4-METHYLPHENYL)-4-(4-METHYLSTYRYL)-2,3-DIHYDROPYRAZOLO-[3,4-B][1,4]-DIAZEPINE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H31ClN4
InChI InChI=1S/C35H31ClN4/c1-24-8-12-26(13-9-24)14-21-31-22-32(28-15-10-25(2)11-16-28)40(23-27-6-4-3-5-7-27)35-34(37-31)33(38-39-35)29-17-19-30(36)20-18-29/h3-21,32H,22-23H2,1-2H3,(H,38,39)/b21-14+
InChIKey HGNQCJAVZXBURS-KGENOOAVSA-N
Literature Reference Author B.INSUASTY,R.RODRIGUEZ,J.QUIROGA,R.ABONIA,R.MARTINEZ,A.TOSCA NO,E.ANGELES
Literature Reference Citation MOLECULES,6,710(2001)
Literature Reference DOI 10.3390/60800710
Molecular Weight 543.111 g/mol
Solvent DMSO-D6
Source File Reference UWLU7617