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2-Amino-9-[3'-(benzoyloxy)-2'-fluoropropyl]-6-chloropurine
SpectraBase Compound ID Icgkt9PhjCM
InChI InChI=1S/C15H13ClFN5O2/c16-12-11-13(21-15(18)20-12)22(8-19-11)6-10(17)7-24-14(23)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,18,20,21)
InChIKey QEXLKAGNXPILNU-UHFFFAOYSA-N
Mol Weight 349.75 g/mol
Molecular Formula C15H13ClFN5O2
Exact Mass 349.074181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2fGalYotzQ
Name 2-Amino-9-[3'-(benzoyloxy)-2'-fluoropropyl]-6-chloropurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClFN5O2
InChI InChI=1S/C15H13ClFN5O2/c16-12-11-13(21-15(18)20-12)22(8-19-11)6-10(17)7-24-14(23)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H2,18,20,21)
InChIKey QEXLKAGNXPILNU-UHFFFAOYSA-N
Molecular Weight 349.753 g/mol
SMILES Nc1nc(c2c([n](cn2)CC(COC(=O)c2ccccc2)F)n1)Cl
SPLASH splash10-0a4i-2915000000-6878fb2794097b349088
Source of Spectrum G-57-1480-0
Synonyms 3-(2-amino-6-chloro-9H-purin-9-yl)-2-fluoropropyl benzoate
Wiley ID 813225