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5-Amino-3-methyl-1-phenyl-1H-thieno[3,2-e]pyrazolo[3,4-b]pyrazine-6-carbonyl oxyacetophenone
SpectraBase Compound ID 37l0VsTF5Gx
InChI InChI=1S/C23H17N5O3S/c1-13-18-21(28(27-13)15-10-6-3-7-11-15)26-22-19(25-18)17(24)20(32-22)23(30)31-12-16(29)14-8-4-2-5-9-14/h2-11H,12,24H2,1H3
InChIKey WJDZNIMEWIMMBW-UHFFFAOYSA-N
Mol Weight 443.48 g/mol
Molecular Formula C23H17N5O3S
Exact Mass 443.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HECXuxbOXWM
Name 5-Amino-3-methyl-1-phenyl-1H-thieno[3,2-e]pyrazolo[3,4-b]pyrazine-6-carbonyl oxyacetophenone
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N5O3S
InChI InChI=1S/C23H17N5O3S/c1-13-18-21(28(27-13)15-10-6-3-7-11-15)26-22-19(25-18)17(24)20(32-22)23(30)31-12-16(29)14-8-4-2-5-9-14/h2-11H,12,24H2,1H3
InChIKey WJDZNIMEWIMMBW-UHFFFAOYSA-N
Instrument Name Shimadzu Qp-2010 plus
Ionization Type EI
Literature Reference DOI 10.1002/jccs.201900056
Molecular Weight 443.481 g/mol
SMILES Nc1c2nc3c(nc2sc1C(=O)OCC(c1ccccc1)=O)[n](nc3C)-c1ccccc1
SPLASH splash10-0a4i-3329600000-48d63eae52efd878ba24
Source of Spectrum QA-67-SM46-21b
Wiley ID 1840134