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9H-Purine, 9-ethyl-6-(phenylthio)-
SpectraBase Compound ID 2IySP5bdo0i
InChI InChI=1S/C13H12N4S/c1-2-17-9-16-11-12(17)14-8-15-13(11)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey SVVMXFJQKUXEGE-UHFFFAOYSA-N
Mol Weight 256.33 g/mol
Molecular Formula C13H12N4S
Exact Mass 256.078268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 798qgQb1BiL
Name 9H-Purine, 9-ethyl-6-(phenylthio)-
CAS Registry Number 83026-97-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4S
InChI InChI=1S/C13H12N4S/c1-2-17-9-16-11-12(17)14-8-15-13(11)18-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKey SVVMXFJQKUXEGE-UHFFFAOYSA-N
Molecular Weight 256.327 g/mol
SMILES c12nc[n](c2ncnc1Sc1ccccc1)CC
SPLASH splash10-0a6r-4980000000-8504ed7d84031493ab08
Source of Spectrum J-47-4523-0
Synonyms 6-(Phenylthio)-9-ethylpurine 9-Ethyl-6-(phenylsulfanyl)-9H-purine 9-Ethyl-9H-purin-6-yl phenyl sulfide
Wiley ID 1259526