| SpectraBase Spectrum ID |
2oKcVXSJbuK |
| Name |
Pentoxyfylline |
| CAS Registry Number |
6493-05-6 |
| Classification |
Pharmaceutical drug, blood flow enhancer |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.137890453 u |
| Formula |
C13H18N4O3 |
| InChI |
InChI=1S/C13H18N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3 |
| InChIKey |
BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.312 g/mol |
| Nominal Mass |
278 u |
| Quality |
999 |
| Retention Index |
2562 |
| SMILES |
C12=C(N(C(N(C2=O)CCCCC(=O)C)=O)C)N=CN1C |
| SPLASH |
splash10-007o-5930000000-6d4b1ba7e42a4bdf0c2c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Pentoxifylline
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032848 |
