| SpectraBase Compound ID | 3c0IflGS2VQ |
|---|---|
| InChI | InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3 |
| InChIKey | MRWQRJMESRRJJB-UHFFFAOYSA-N |
| Mol Weight | 264.33 g/mol |
| Molecular Formula | C13H20N4O2 |
| Exact Mass | 264.158626 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GzPj6kPfZC0 |
|---|---|
| Name | 1-Hexyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| CAS Registry Number | 1028-33-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H20N4O2 |
| InChI | InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3 |
| InChIKey | MRWQRJMESRRJJB-UHFFFAOYSA-N |
| Molecular Weight | 264.329 g/mol |
| SMILES | c12c(C(=O)N(C(N2C)=O)CCCCCC)[n](C)cn1 |
| SPLASH | splash10-001i-6910000000-3a440f4063e22fbfa91a |
| Source of Spectrum | JZ-1992-5692-0 |
| Synonyms | 1-Hexyl-3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione 1-Hexyl-3,7-dimethyl-purine-2,6-dione 1-Hexyl-3,7-dimethyl-xanthine 1-Hexyltheobromine 1H-Purine-2,6-dione, 1-hexyl-3,7-dihydro-3,7-dimethyl- 1H-Purine-2,6-dione, 3,7-dihydro-1-hexyl-3,7-dimethyl- 3,7-Dimethyl-1-hexyl-1H,3H-purin-2,6-dione component of Cosaldon Cosadon Cosaldon Hexyltheobromine Pentifilina Pentifyllin Pentifylline Pentifyllinum Theobromine, 1-hexyl- SK 7 SK 7 (PHARMACEUTICAL) BRN 0270632 EINECS 213-842-0 |
| Wiley ID | 1267705 |