| SpectraBase Spectrum ID |
44Sj8tWnhVr |
| Name |
Abacavir 2PFP |
| Classification |
Virustatic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
578.112420026 u |
| Formula |
C20H16F10N6O3 |
| InChI |
InChI=1S/C20H16F10N6O3/c21-17(22,19(25,26)27)14(37)35-16-33-12(32-9-2-3-9)11-13(34-16)36(7-31-11)10-4-1-8(5-10)6-39-15(38)18(23,24)20(28,29)30/h1,4,7-10H,2-3,5-6H2,(H2,32,33,34,35,37) |
| InChIKey |
WAYHELSBFLFWQL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
578.371 g/mol |
| SMILES |
c1(c2nc[n](c2nc(NC(C(F)(F)C(F)(F)F)=O)n1)C1C=CC(COC(C(C(F)(F)F)(F)F)=O)C1)NC1CC1 |
| SPLASH |
splash10-009i-6629000000-ea298f20d4f63d835ddf |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_6133 |
