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6-Azanyl-9-ethanoyl-1-methyl-purin-2-one
SpectraBase Compound ID 6WLwboRNsJN
InChI InChI=1S/C8H9N5O2/c1-4(14)13-3-10-5-6(9)12(2)8(15)11-7(5)13/h3H,9H2,1-2H3
InChIKey BWBOORKBGPYJDG-UHFFFAOYSA-N
Mol Weight 207.19 g/mol
Molecular Formula C8H9N5O2
Exact Mass 207.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tV3iIku4yU
Name 6-Azanyl-9-ethanoyl-1-methyl-purin-2-one
Alternate Name(s) 9-Acetyl-6-amino-1-methyl-2-purinone 9-Acetyl-6-amino-1-methyl-purin-2-one
CAS Registry Number 103681-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N5O2
InChI InChI=1S/C8H9N5O2/c1-4(14)13-3-10-5-6(9)12(2)8(15)11-7(5)13/h3H,9H2,1-2H3
InChIKey BWBOORKBGPYJDG-UHFFFAOYSA-N
Molecular Weight 207.193 g/mol
SMILES NC1=C2C(=NC(N1C)=O)N(C=N2)C(=O)C
SPLASH splash10-014l-2910000000-b7895851d52b68829eae
Source of Spectrum Y-22-955-4
Wiley ID 1205528