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5-Chloro-7-(3,5-dimethylphenyl)-6-(methylthio)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 9kDjfxSTS5o
InChI InChI=1S/C15H14ClN3S/c1-9-6-10(2)8-11(7-9)13-14(20-3)15(16)18-12-4-5-17-19(12)13/h4-8H,1-3H3
InChIKey BXVTWMYIMBJGCH-UHFFFAOYSA-N
Mol Weight 303.81 g/mol
Molecular Formula C15H14ClN3S
Exact Mass 303.059696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8daJrwvQlDs
Name 5-Chloro-7-(3,5-dimethylphenyl)-6-(methylthio)pyrazolo[1,5-a]pyrimidine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.059696337 u
Formula C15H14ClN3S
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C15H14ClN3S/c1-9-6-10(2)8-11(7-9)13-14(20-3)15(16)18-12-4-5-17-19(12)13/h4-8H,1-3H3
InChIKey BXVTWMYIMBJGCH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 303.811 g/mol
Reported Formula C15H14ClN3S
SMILES C1(Cl)=NC=2N(C(=C1SC)C1=CC(=CC(=C1)C)C)N=CC2
SPLASH splash10-01p9-0092000000-6b1540fa3ed0fa500666
Source of Spectrum QE-28-SM32-21f (DOI: 10.1002/chem.202200733)
Wiley ID 1900427