For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-(4-fluorophenyl)pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID aM8216rU1W
InChI InChI=1S/C22H19FN4O2/c1-3-29-22(28)19-13-18-14(2)26-27(17-7-5-4-6-8-17)21(18)25-20(24-19)15-9-11-16(23)12-10-15/h4-13H,3H2,1-2H3,(H,24,25)
InChIKey XYUAPOYRKVZZQT-UHFFFAOYSA-N
Mol Weight 390.42 g/mol
Molecular Formula C22H19FN4O2
Exact Mass 390.149204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3prk52JXdcj
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-(4-fluorophenyl)pyrazolo[3,4-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19FN4O2
InChI InChI=1S/C22H19FN4O2/c1-3-29-22(28)19-13-18-14(2)26-27(17-7-5-4-6-8-17)21(18)25-20(24-19)15-9-11-16(23)12-10-15/h4-13H,3H2,1-2H3,(H,24,25)
InChIKey XYUAPOYRKVZZQT-UHFFFAOYSA-N
Molecular Weight 390.418 g/mol
SMILES N1C(=Cc2c(N=C1c1ccc(cc1)F)[n](nc2C)-c1ccccc1)C(=O)OCC
SPLASH splash10-00or-8009000000-c88c5f44d6b769ef7a00
Source of Spectrum J-58-5269-18
Synonyms Ethyl 7-(4-fluorophenyl)-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1364835