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7-(4-chlorophenyl)-5-(methylthio)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID HQlY8QNesul
InChI InChI=1S/C13H10ClN3S/c1-18-13-8-11(9-2-4-10(14)5-3-9)17-12(16-13)6-7-15-17/h2-8H,1H3
InChIKey XCKIOWHBBQPIIG-UHFFFAOYSA-N
Mol Weight 275.76 g/mol
Molecular Formula C13H10ClN3S
Exact Mass 275.028396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75aHi8GDOI5
Name 7-(4-chlorophenyl)-5-(methylthio)pyrazolo[1,5-a]pyrimidine
Alternate Name(s) 7-(4-chlorophenyl)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine
CAS Registry Number 128039-44-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10ClN3S
InChI InChI=1S/C13H10ClN3S/c1-18-13-8-11(9-2-4-10(14)5-3-9)17-12(16-13)6-7-15-17/h2-8H,1H3
InChIKey XCKIOWHBBQPIIG-UHFFFAOYSA-N
Molecular Weight 275.757 g/mol
SMILES c12[n](C(=CC(=N2)SC)c2ccc(cc2)Cl)ncc1
SPLASH splash10-004i-0090000000-bd6264fbb693d70a456f
Source of Spectrum F-46-582-3
Wiley ID 1278947