SpectraBase Spectrum ID |
JsjejQ7QpYZ |
Name |
9-[5-O-(2-Acetoxyisobutyryl)-3-deoxy-3-bromo]adenosine |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C16H20BrN5O6 |
InChI |
InChI=1S/C16H20BrN5O6/c1-7(23)28-16(2,3)15(25)26-4-8-9(17)11(24)14(27-8)22-6-21-10-12(18)19-5-20-13(10)22/h5-6,8-9,11,14,24H,4H2,1-3H3,(H2,18,19,20) |
InChIKey |
UMYCNABQNVPBTQ-UHFFFAOYSA-N |
Molecular Weight |
458.269 g/mol |
SMILES |
OC1C([n]2c3c(c(ncn3)N)nc2)OC(C1Br)COC(C(OC(=O)C)(C)C)=O |
SPLASH |
splash10-000i-0900100000-ec2dd784bb8dd1daf461 |
Source of Spectrum |
SO-0-479-4 |
Wiley ID |
1543140 |