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2-Acetonyl-9-[3-deoxy-.beta.-d-ribouranosyl]hypoxanthine
SpectraBase Compound ID 1w8YihSU7lf
InChI InChI=1S/C13H16N4O5/c1-6(19)2-9-15-11-10(12(21)16-9)14-5-17(11)13-8(20)3-7(4-18)22-13/h5,7-8,13,18,20H,2-4H2,1H3,(H,15,16,21)
InChIKey MBQOESUAWPYLQO-UHFFFAOYSA-N
Mol Weight 308.29 g/mol
Molecular Formula C13H16N4O5
Exact Mass 308.11207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KAV8lG4d8X
Name 2-Acetonyl-9-[3-deoxy-.beta.-d-ribouranosyl]hypoxanthine
Alternate Name(s) 9-[3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(2-oxopropyl)-3H-purin-6-one 9-[3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-oxopropyl)-3H-purin-6-one 2-Acetonyl-9-[3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one 9-[5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-2-(2-oxidanylidenepropyl)-3H-purin-6-one
CAS Registry Number 132121-67-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N4O5
InChI InChI=1S/C13H16N4O5/c1-6(19)2-9-15-11-10(12(21)16-9)14-5-17(11)13-8(20)3-7(4-18)22-13/h5,7-8,13,18,20H,2-4H2,1H3,(H,15,16,21)
InChIKey MBQOESUAWPYLQO-UHFFFAOYSA-N
Molecular Weight 308.294 g/mol
SMILES N1C(=Nc2[n](C3C(CC(O3)CO)O)cnc2C1=O)CC(=O)C
SPLASH splash10-0006-9100000000-69706d76f3c65603af26
Source of Spectrum NP-10-5275-0
Wiley ID 1108968