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1,3-Diphenyl-6-(Chloromethyl)pyrazolo[3,4-d]pyrimidine
SpectraBase Compound ID J9EI6PfdSpn
InChI InChI=1S/C18H13ClN4/c19-11-16-20-12-15-17(13-7-3-1-4-8-13)22-23(18(15)21-16)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKey SGRBKJIHZSTQAX-UHFFFAOYSA-N
Mol Weight 320.78 g/mol
Molecular Formula C18H13ClN4
Exact Mass 320.082874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Le2YDczIjQ4
Name 1,3-Diphenyl-6-(Chloromethyl)pyrazolo[3,4-d]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13ClN4
InChI InChI=1S/C18H13ClN4/c19-11-16-20-12-15-17(13-7-3-1-4-8-13)22-23(18(15)21-16)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKey SGRBKJIHZSTQAX-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA07707A
Molecular Weight 320.783 g/mol
SMILES c1(nc2c(cn1)c(n[n]2-c1ccccc1)-c1ccccc1)CCl
SPLASH splash10-00di-4069000000-2aaa30deba8f05e128ec
Source of Spectrum RSA-5-47106-40
Synonyms 6-(chloromethyl)-1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidine
Wiley ID 1805555