| SpectraBase Spectrum ID |
9xQTb3f0tgr |
| Name |
1,3,7,8-Tetramethyl-3,7-dihydro-1H-purine-2,6-dione |
| Alternate Name(s) |
1,3,7,8-tetramethylpurine-2,6-dione
1,3,7,8-Tetramethylxanthine
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7,8-tetramethyl-
Xanthine, 1,3,7,8-tetramethyl-
8-Methylcaffeine
Methylcaffeine |
| CAS Registry Number |
55059-19-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12N4O2 |
| InChI |
InChI=1S/C9H12N4O2/c1-5-10-7-6(11(5)2)8(14)13(4)9(15)12(7)3/h1-4H3 |
| InChIKey |
LFHHOHMIVKIHMG-UHFFFAOYSA-N |
| Molecular Weight |
208.221 g/mol |
| SMILES |
c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)C |
| SPLASH |
splash10-0a4i-7490000000-158dc1a645a30f43b60d |
| Source of Spectrum |
JZ-1992-1036-0 |
| Wiley ID |
1206314 |
