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Pyrazolo[1,5-a]pyrimidine, 6-methyl-2,5-bis(methylthio)-3,7-diphenyl-
SpectraBase Compound ID 5RF9oig5Gxo
InChI InChI=1S/C21H19N3S2/c1-14-18(16-12-8-5-9-13-16)24-19(22-20(14)25-2)17(21(23-24)26-3)15-10-6-4-7-11-15/h4-13H,1-3H3
InChIKey KWYZEOFYTNVVLS-UHFFFAOYSA-N
Mol Weight 377.52 g/mol
Molecular Formula C21H19N3S2
Exact Mass 377.10204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgnwE1Y2EHh
Name Pyrazolo[1,5-a]pyrimidine, 6-methyl-2,5-bis(methylthio)-3,7-diphenyl-
Alternate Name(s) 2,5-bis(methylthio)-3,7-diphenyl-6-methylpyrazolo[1,5-a]pyrimidine 6-methyl-2,5-bis(methylsulfanyl)-3,7-diphenylpyrazolo[1,5-a]pyrimidine
CAS Registry Number 128039-48-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N3S2
InChI InChI=1S/C21H19N3S2/c1-14-18(16-12-8-5-9-13-16)24-19(22-20(14)25-2)17(21(23-24)26-3)15-10-6-4-7-11-15/h4-13H,1-3H3
InChIKey KWYZEOFYTNVVLS-UHFFFAOYSA-N
Molecular Weight 377.524 g/mol
SMILES c12[n](nc(c2-c2ccccc2)SC)C(c2ccccc2)=C(C(=N1)SC)C
SPLASH splash10-0059-0009000000-2328dcb2f597b9d808ab
Source of Spectrum F-46-583-3
Wiley ID 1358275