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2,7-diamino-5-phenyl-3-(thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SpectraBase Compound ID HbKbbwfSDPA
InChI InChI=1S/C16H11N9S/c17-8-10-11(9-4-2-1-3-5-9)21-15-12(13(18)24-25(15)14(10)19)22-23-16-20-6-7-26-16/h1-7H,19H2,(H2,18,24)
InChIKey KCFOKPUSLGGJFU-UHFFFAOYSA-N
Mol Weight 361.39 g/mol
Molecular Formula C16H11N9S
Exact Mass 361.085813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgAiOebkBLC
Name 2,7-diamino-5-phenyl-3-(thiazol-2-yldiazenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
Appearance Red crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N9S
InChI InChI=1S/C16H11N9S/c17-8-10-11(9-4-2-1-3-5-9)21-15-12(13(18)24-25(15)14(10)19)22-23-16-20-6-7-26-16/h1-7H,19H2,(H2,18,24)
InChIKey KCFOKPUSLGGJFU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2492
Molecular Weight 361.387 g/mol
SMILES NC1=C(C(=Nc2[n]1nc(c2N=Nc1sccn1)N)c1ccccc1)C#N
SPLASH splash10-004i-9331000000-c996008b13b979ba81a4
Source of Spectrum Y-53-1825-10
Wiley ID 1876689