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Purine
SpectraBase Compound ID H97uewxwp4t
InChI InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey KDCGOANMDULRCW-UHFFFAOYSA-N
Mol Weight 120.11 g/mol
Molecular Formula C5H4N4
Exact Mass 120.043596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HvHqawBA5eR
Name 1H-Purine
CAS Registry Number 120-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N4
InChI InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChIKey KDCGOANMDULRCW-UHFFFAOYSA-N
Molecular Weight 120.115 g/mol
SMILES [nH]1c2c(nc1)cncn2
SPLASH splash10-00di-8900000000-c2e21a3ea9b053b7f2d1
Source of Spectrum PG-1982-766-0
Synonyms .beta.-Purine 3,5,7-Triazaindole 6H-Imidazo[4,5-d]pyrimidine 7H-Imidazo(4,5-d)pyrimidine 7H-Purine 9H-Purine Imidazo(4,5-d)pyrimidine Isopurine Purine X 128 AI3-50208 EINECS 204-421-2 NSC 753
Wiley ID 1127063