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2-((4-(4-Fluorophenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)amino)-1-phenylethan-1-one
SpectraBase Compound ID DJElTf1EOpQ
InChI InChI=1S/C30H25FN4O/c31-24-14-12-20(13-15-24)25-17-26(23-11-10-19-6-4-5-9-22(19)16-23)33-30-28(25)29(34-35-30)32-18-27(36)21-7-2-1-3-8-21/h1-3,7-8,10-17H,4-6,9,18H2,(H2,32,33,34,35)
InChIKey JRLHPCNVFYJKRH-UHFFFAOYSA-N
Mol Weight 476.56 g/mol
Molecular Formula C30H25FN4O
Exact Mass 476.20124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H05lSVQ0vV6
Name 2-((4-(4-Fluorophenyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)amino)-1-phenylethan-1-one
Appearance Dark yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H25FN4O
InChI InChI=1S/C30H25FN4O/c31-24-14-12-20(13-15-24)25-17-26(23-11-10-19-6-4-5-9-22(19)16-23)33-30-28(25)29(34-35-30)32-18-27(36)21-7-2-1-3-8-21/h1-3,7-8,10-17H,4-6,9,18H2,(H2,32,33,34,35)
InChIKey JRLHPCNVFYJKRH-UHFFFAOYSA-N
Instrument Name Shimadzu QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3764
Molecular Weight 476.555 g/mol
SMILES [nH]1nc(c2c(-c3ccc(F)cc3)cc(nc12)-c1cc2c(cc1)CCCC2)NCC(=O)c1ccccc1
SPLASH splash10-001i-9000000000-8f25d914952a8bfc2386
Source of Spectrum Y-57-190-11
Wiley ID 1859734