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9-(5-o-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-o-acetyl-3-bromo)adenosine

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9-(5-o-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-o-acetyl-3-bromo)adenosine
SpectraBase Compound ID 9NkWjpJ7dbm
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
Mol Weight 500.31 g/mol
Molecular Formula C18H22BrN5O7
Exact Mass 499.070261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cx8me2ZFGjx
Name 9-(5-o-(2-Acetoxyisobutyryl)-2,3-dideoxy-2-o-acetyl-3-bromo)adenosine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 499.070261061 u
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 C1(N2C3=C(C(N)=NC=N3)N=C2)C(C(Br)C(O1)COC(C(OC(=O)C)(C)C)=O)OC(=O)C