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9-[6-(E/Z)-Chloro-5,6-dideoxy-.beta.,D-ribo-hex-5-enfuranosyl]adenine
SpectraBase Compound ID AldyLRB3I9P
InChI InChI=1S/C11H12ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7?,8+,11-/m1/s1
InChIKey UJALHGPTFHVBBT-DJAKZWIBSA-N
Mol Weight 297.7 g/mol
Molecular Formula C11H12ClN5O3
Exact Mass 297.062867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lbb0lNfaDDn
Name 9-[6-(E/Z)-Chloro-5,6-dideoxy-.beta.,D-ribo-hex-5-enfuranosyl]adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12ClN5O3
InChI InChI=1S/C11H12ClN5O3/c12-2-1-5-7(18)8(19)11(20-5)17-4-16-6-9(13)14-3-15-10(6)17/h1-5,7-8,11,18-19H,(H2,13,14,15)/b2-1+/t5-,7?,8+,11-/m1/s1
InChIKey UJALHGPTFHVBBT-DJAKZWIBSA-N
Molecular Weight 297.702 g/mol
SMILES OC1[C@](O[C@]([C@]1(O)[H])([n]1c2c(c(N)ncn2)nc1)[H])(\C=C\Cl)[H]
SPLASH splash10-03dr-0950000000-cb4431c7de0c9639fcc0
Source of Spectrum E1-37-3584-6
Wiley ID 1575312