| SpectraBase Spectrum ID |
H7nmpQULY8t |
| Name |
9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-O-(phenoxythiocarbonyl)]adenosine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H24BrN5O7S |
| InChI |
InChI=1S/C23H24BrN5O7S/c1-12(30)36-23(2,3)21(31)32-9-14-15(24)17(35-22(37)33-13-7-5-4-6-8-13)20(34-14)29-11-28-16-18(25)26-10-27-19(16)29/h4-8,10-11,14-15,17,20H,9H2,1-3H3,(H2,25,26,27) |
| InChIKey |
NRRPARJDMCJUMG-UHFFFAOYSA-N |
| Molecular Weight |
594.437 g/mol |
| SMILES |
Nc1c2c([n](C3C(C(Br)C(O3)COC(C(OC(=O)C)(C)C)=O)OC(=S)Oc3ccccc3)cn2)ncn1 |
| SPLASH |
splash10-000i-0900000000-50d4769331b29da5cc7d |
| Source of Spectrum |
SO-0-479-6 |
| Wiley ID |
1543137 |
![9-[5-o-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-o-(phenoxythiocarbonyl)]adenosine](/api/spectrum/H7nmpQULY8t/structure.png?h=300&w=458 "9-[5-o-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo-2-o-(phenoxythiocarbonyl)]adenosine")
