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5-Chloro-7-(3-methoxyphenyl)-6-(methylthio)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID ULd4MxrAxn
InChI InChI=1S/C14H12ClN3OS/c1-19-10-5-3-4-9(8-10)12-13(20-2)14(15)17-11-6-7-16-18(11)12/h3-8H,1-2H3
InChIKey YONSZZRCANGHEF-UHFFFAOYSA-N
Mol Weight 305.78 g/mol
Molecular Formula C14H12ClN3OS
Exact Mass 305.038961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1LLsAApRK6y
Name 5-Chloro-7-(3-methoxyphenyl)-6-(methylthio)pyrazolo[1,5-a]pyrimidine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.038960891 u
Formula C14H12ClN3OS
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C14H12ClN3OS/c1-19-10-5-3-4-9(8-10)12-13(20-2)14(15)17-11-6-7-16-18(11)12/h3-8H,1-2H3
InChIKey YONSZZRCANGHEF-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 305.783 g/mol
Reported Formula C14H12ClN3OS
SMILES C1(Cl)=NC=2N(C(=C1SC)C1=CC(=CC=C1)OC)N=CC2
SPLASH splash10-0006-0091000000-9cf0950166be54aa64b8
Source of Spectrum QE-28-SM27-21a (DOI: 10.1002/chem.202200733)
Wiley ID 1900422