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8-Oxoadenine

View entire compound with spectra: 3 NMR, and 2 MS (GC)

8-Oxoadenine
SpectraBase Compound ID ELOMcZiGesy
InChI InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey RGKBRPAAQSHTED-UHFFFAOYSA-N
Mol Weight 151.13 g/mol
Molecular Formula C5H5N5O
Exact Mass 151.04941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHNcANdzs9C
Name 8-Oxoadenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H5N5O
InChI InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
InChIKey RGKBRPAAQSHTED-UHFFFAOYSA-N
Molecular Weight 151.129 g/mol
SMILES N1C(Nc2c1ncnc2N)=O
SPLASH splash10-0f7c-4900000000-ff964f886fdf8a467ccf
Source of Spectrum KC-0-680-38
Synonyms 6-Amino-7,9-dihydro-8H-purin-8-one 6-Amino-7,9-dihydropurin-8-one 6-Azanyl-7,9-dihydropurin-8-one
Wiley ID 827622