| SpectraBase Spectrum ID |
5V7HWvgH06K |
| Name |
Diprophylline |
| CAS Registry Number |
479-18-5 |
| Classification |
Pharmaceutical drug, broncholytic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
254.101504943 u |
| Formula |
C10H14N4O4 |
| InChI |
InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3 |
| InChIKey |
KSCFJBIXMNOVSH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
254.246 g/mol |
| Nominal Mass |
254 u |
| Quality |
996 |
| Retention Index |
2116 |
| SMILES |
OCC(CN1C2=C(N(C(N(C2=O)C)=O)C)N=C1)O |
| SPLASH |
splash10-007o-6920000000-343019b7f002c00d6ee0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dihydroxypropyl-theophyllin
Diphyllin
7-(2,3-Dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013992 |
