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4-Methyl-6-phenyl-6H-pyrazolo[3,4-c]isothiazole-3-carbonitrile
SpectraBase Compound ID 9jUu3FgKU8Y
InChI InChI=1S/C12H8N4S/c1-8-11-10(7-13)17-15-12(11)16(14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey JDPVXKJJQHAICC-UHFFFAOYSA-N
Mol Weight 240.28 g/mol
Molecular Formula C12H8N4S
Exact Mass 240.046967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuDR2TW4CoT
Name 4-Methyl-6-phenyl-6H-pyrazolo[3,4-c]isothiazole-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4S
InChI InChI=1S/C12H8N4S/c1-8-11-10(7-13)17-15-12(11)16(14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKey JDPVXKJJQHAICC-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo500509e
Molecular Weight 240.284 g/mol
SMILES c1(C)n[n](-c2ccccc2)c2nsc(c12)C#N
SPLASH splash10-0006-7290000000-a686c07e484c8dfe446e
Source of Spectrum J-79-4034-5i
Synonyms 4-Methyl-6-phenyl-3-pyrazolo[3,4-c]isothiazolecarbonitrile 4-Methyl-6-phenylpyrazolo[3,4-c][1,2]thiazole-3-carbonitrile 4-Methyl-6-phenyl-pyrazolo[3,4-c]isothiazole-3-carbonitrile 4-Methyl-6-phenyl-pyrazolo[3,4-c][1,2]thiazole-3-carbonitrile
Wiley ID 1746253