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Ethyl 5-chloro-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 7023RnEuAW5
InChI InChI=1S/C16H14ClN3O3/c1-3-23-16(21)13-14(10-5-4-6-11(9-10)22-2)20-12(7-8-18-20)19-15(13)17/h4-9H,3H2,1-2H3
InChIKey DFJJUKZBWDDADV-UHFFFAOYSA-N
Mol Weight 331.76 g/mol
Molecular Formula C16H14ClN3O3
Exact Mass 331.072369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2So3edn2PT4
Name Ethyl 5-chloro-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.072369020 u
Formula C16H14ClN3O3
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C16H14ClN3O3/c1-3-23-16(21)13-14(10-5-4-6-11(9-10)22-2)20-12(7-8-18-20)19-15(13)17/h4-9H,3H2,1-2H3
InChIKey DFJJUKZBWDDADV-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 331.759 g/mol
Reported Formula C16H14ClN3O3
SMILES C(C)OC(=O)C=1C(=NC=2N(C1C1=CC(=CC=C1)OC)N=CC2)Cl
SPLASH splash10-001i-0029000000-a96f496702a8a7479ebf
Source of Spectrum QE-28-SM29-21c (DOI: 10.1002/chem.202200733)
Wiley ID 1900424