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[5-(methylthio)-7-phenyl-6-pyrazolo[1,5-a]pyrimidinyl]-phenylmethanone
SpectraBase Compound ID CLP5QL362KR
InChI InChI=1S/C20H15N3OS/c1-25-20-17(19(24)15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)23-16(22-20)12-13-21-23/h2-13H,1H3
InChIKey FBBMQZVTLUOTKB-UHFFFAOYSA-N
Mol Weight 345.42 g/mol
Molecular Formula C20H15N3OS
Exact Mass 345.093583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPwSYUqv3Gg
Name [5-(methylthio)-7-phenyl-6-pyrazolo[1,5-a]pyrimidinyl]-phenylmethanone
Alternate Name(s) [5-(methylthio)-7-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]-phenyl-methanone (5-methylsulfanyl-7-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-phenylmethanone
CAS Registry Number 128039-46-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15N3OS
InChI InChI=1S/C20H15N3OS/c1-25-20-17(19(24)15-10-6-3-7-11-15)18(14-8-4-2-5-9-14)23-16(22-20)12-13-21-23/h2-13H,1H3
InChIKey FBBMQZVTLUOTKB-UHFFFAOYSA-N
Molecular Weight 345.420 g/mol
SMILES C1(=C([n]2nccc2N=C1SC)c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0002-0009000000-3a43d2320766cb1b034f
Source of Spectrum F-46-583-3
Wiley ID 1338711