| SpectraBase Spectrum ID |
Hthj22PsWsV |
| Name |
9-(5-O-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-O-acetyl-3-bromo)adenosine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22BrN5O7 |
| InChI |
InChI=1S/C18H22BrN5O7/c1-8(25)29-13-11(19)10(5-28-17(27)18(3,4)31-9(2)26)30-16(13)24-7-23-12-14(20)21-6-22-15(12)24/h6-7,10-11,13,16H,5H2,1-4H3,(H2,20,21,22) |
| InChIKey |
NTMXHPDFVOFQHP-UHFFFAOYSA-N |
| Molecular Weight |
500.306 g/mol |
| SMILES |
Nc1c2c([n](C3C(C(Br)C(O3)COC(C(OC(=O)C)(C)C)=O)OC(=O)C)cn2)ncn1 |
| SPLASH |
splash10-000i-0900020000-cf5e0476c5f8b4ce8ab4 |
| Source of Spectrum |
SO-0-479-2 |
| Wiley ID |
1543143 |
