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2'-O-Acetyl-3'-deoxy-5'-fluoro-5'-(4-methoxyphenyl)adenosine
SpectraBase Compound ID 6GowU7kyfJe
InChI InChI=1S/C19H20FN5O4S/c1-10(26)28-14-7-13(16(20)30-12-5-3-11(27-2)4-6-12)29-19(14)25-9-24-15-17(21)22-8-23-18(15)25/h3-6,8-9,13-14,16,19H,7H2,1-2H3,(H2,21,22,23)
InChIKey ISAQEWOUCFAFDH-UHFFFAOYSA-N
Mol Weight 433.46 g/mol
Molecular Formula C19H20FN5O4S
Exact Mass 433.122003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7rfaLzKP2C
Name 2'-O-Acetyl-3'-deoxy-5'-fluoro-5'-(4-methoxyphenyl)adenosine
Comments Less than 3 mono-isotopic peaks
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Formula C19H20FN5O4S
InChI InChI=1S/C19H20FN5O4S/c1-10(26)28-14-7-13(16(20)30-12-5-3-11(27-2)4-6-12)29-19(14)25-9-24-15-17(21)22-8-23-18(15)25/h3-6,8-9,13-14,16,19H,7H2,1-2H3,(H2,21,22,23)
InChIKey ISAQEWOUCFAFDH-UHFFFAOYSA-N
Molecular Weight 433.458 g/mol
SMILES Nc1c2c([n](C3OC(C(Sc4ccc(cc4)OC)F)CC3OC(=O)C)cn2)ncn1
SPLASH splash10-000i-0900000000-d16035dfacbc77ad4b98
Source of Spectrum J-63-1208-10
Synonyms Acetic acid 2-(6-amino-purin-9-yl)-5-[fluoro-(4-methoxy-phenylsulfanyl)-methyl]-tetrahydro-furan-3-yl ester
Wiley ID 1382616