| SpectraBase Spectrum ID |
3PdNkio8QyS |
| Name |
Diethyl (Z,E)-4-(Adenin-9-yl)-3-bromo-1-fluoro-1,2-butadiene-1-phosphonate |
| Alternate Name(s) |
Diethyl 4-(6-amino-9H-purin-9-yl)-3-bromo-1-fluoro-1,2-butadienylphosphonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16BrFN5O3P |
| InChI |
InChI=1S/C13H16BrFN5O3P/c1-3-22-24(21,23-4-2)10(15)5-9(14)6-20-8-19-11-12(16)17-7-18-13(11)20/h7-8H,3-4,6H2,1-2H3,(H2,16,17,18) |
| InChIKey |
BRCBMRGASBJTIC-UHFFFAOYSA-N |
| Molecular Weight |
420.179 g/mol |
| SMILES |
Nc1c2c([n](cn2)CC(=C=C(P(=O)(OCC)OCC)F)Br)ncn1 |
| SPLASH |
splash10-001i-0091100000-c8e25c4cc46750b80efb |
| Source of Spectrum |
F-53-5394-16 |
| Wiley ID |
801686 |
