For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-Dimethyl-7-(3-methylbutyl)-9H-purine-2,6,8-trione
SpectraBase Compound ID 6WKw3OTQ1Rr
InChI InChI=1S/C12H18N4O3/c1-7(2)5-6-16-8-9(13-11(16)18)14(3)12(19)15(4)10(8)17/h7H,5-6H2,1-4H3,(H,13,18)
InChIKey WQZVVNYFSCZQAG-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C12H18N4O3
Exact Mass 266.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 3n6vHF6qGyW
Name 1,3-Dimethyl-7-(3-methylbutyl)-9H-purine-2,6,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N4O3
InChI InChI=1S/C12H18N4O3/c1-7(2)5-6-16-8-9(13-11(16)18)14(3)12(19)15(4)10(8)17/h7H,5-6H2,1-4H3,(H,13,18)
InChIKey WQZVVNYFSCZQAG-UHFFFAOYSA-N
Molecular Weight 266.301 g/mol
SMILES Oc1nc2c([n]1CCC(C)C)C(=O)N(C)C(=O)N2C
SPLASH splash10-00kb-2960000000-70b9f5ccaca1a3fd1a37
Source of Spectrum AD-0-2532-0
Synonyms 7-isoamyl-1,3-dimethyl-9H-purine-2,6,8-trione 7-isopentyl-1,3-dimethyl-9H-purine-2,6,8-trione Purine-2,6-dione, 8-hydroxy-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-
Wiley ID 1436308