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

*Links on SpectraBase are not permalinks.
1,3-Dimethyl-7-n-propylxanthine
SpectraBase Compound ID 2CLWxbhx28z
InChI InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
InChIKey HGFWMGARSDHJFP-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C10H14N4O2
Exact Mass 222.111676 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 EcjXrvwof5j
Name 1,3-Dimethyl-7-n-propylxanthine
Alternate Name(s) 1,3-Dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione 1,3-Dimethyl-7-propylpurine-2,6-dione 1,3-Dimethyl-7-propyl-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2
InChI InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
InChIKey HGFWMGARSDHJFP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200065s
Molecular Weight 222.248 g/mol
SMILES C1(N(C(c2c(N1C)nc[n]2CCC)=O)C)=O
SPLASH splash10-00e9-2970000000-a62fcee3ad3e060f7194
Source of Spectrum A1-13-1378/SMS6-1c
Wiley ID 1752851