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1-benzyl-1,8-dihydro-3,8-dimethyl-4-phenylpyrazolo[3,4-b][1,4]-diazepine-5,7(4H,6H)-dione
SpectraBase Compound ID 3M1B4JxiAey
InChI InChI=1S/C21H20N4O2/c1-15-20-21(24(22-15)14-16-9-5-3-6-10-16)23(2)18(26)13-19(27)25(20)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKey TWGHDRGOEBYBLQ-UHFFFAOYSA-N
Mol Weight 360.42 g/mol
Molecular Formula C21H20N4O2
Exact Mass 360.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8fSgQZ27SKI
Name 1-BENZYL-1,8-DIHYDRO-3,8-DIMETHYL-4-PHENYLPYRAZOLO[3,4-b][1,4]DIAZEPINE-5,7(4H,6H)-DIONE
Source of Sample B. Renger, Mundipharma GmbH, Limburg, Germany
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N4O2
InChI InChI=1S/C21H20N4O2/c1-15-20-21(24(22-15)14-16-9-5-3-6-10-16)23(2)18(26)13-19(27)25(20)17-11-7-4-8-12-17/h3-12H,13-14H2,1-2H3
InChIKey TWGHDRGOEBYBLQ-UHFFFAOYSA-N
Melting Point 177C
Molecular Weight 360.42
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PYRAZOLO/3,4-B//1,4/DIAZEPINE- 5,7/4H,6H/-DIONE, 1-BENZYL-1,8-DIHYDRO- 3,8-DIMETHYL-4-PHENYL-,