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6-Cyanopurine
SpectraBase Compound ID EiMu8btnLZK
InChI InChI=1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)
InChIKey NHYQQYMSESLQDX-UHFFFAOYSA-N
Mol Weight 145.12 g/mol
Molecular Formula C6H3N5
Exact Mass 145.038845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0ABaRkOhxI
Name 1H-Purine-6-carbonitrile
CAS Registry Number 2036-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3N5
InChI InChI=1S/C6H3N5/c7-1-4-5-6(10-2-8-4)11-3-9-5/h2-3H,(H,8,9,10,11)
InChIKey NHYQQYMSESLQDX-UHFFFAOYSA-N
Molecular Weight 145.125 g/mol
SMILES [nH]1c2ncnc(c2nc1)C#N
SPLASH splash10-0002-1900000000-ee853152d76822050616
Source of Spectrum W5-1989-25182-1
Synonyms Purine-6-carbonitrile 9H-Purine-6-carbonitrile 6-Cyanopurine 7H-purine-6-carbonitrile Purine, 6-cyano- AI3-50435 EINECS 218-005-3 NSC 21625
Wiley ID 1143307