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2'-Deoxy-3'-O-benzoylriboseadenine

View entire compound with spectra: 1 MS (GC)

2'-Deoxy-3'-O-benzoylriboseadenine
SpectraBase Compound ID LTMrh4jC4pC
InChI InChI=1S/C17H17N5O4/c18-15-14-16(20-8-19-15)22(9-21-14)13-6-11(12(7-23)25-13)26-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13,23H,6-7H2,(H2,18,19,20)/t11-,12-,13-/m1/s1
InChIKey ALGXLPTVRQAONR-JHJVBQTASA-N
Mol Weight 355.35 g/mol
Molecular Formula C17H17N5O4
Exact Mass 355.128054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zsUz4Vs8YT
Name 2'-Deoxy-3'-O-benzoylriboseadenine
Alternate Name(s) benzoic acid [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] benzoate [(2R,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] benzoate
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Formula C17H17N5O4
InChI InChI=1S/C17H17N5O4/c18-15-14-16(20-8-19-15)22(9-21-14)13-6-11(12(7-23)25-13)26-17(24)10-4-2-1-3-5-10/h1-5,8-9,11-13,23H,6-7H2,(H2,18,19,20)/t11-,12-,13-/m1/s1
InChIKey ALGXLPTVRQAONR-JHJVBQTASA-N
Molecular Weight 355.354 g/mol
SMILES Nc1c2c([n]([C@@]3(O[C@](CO)([C@@](C3)(OC(=O)c3ccccc3)[H])[H])[H])cn2)ncn1
SPLASH splash10-0a6r-7900000000-209331e490443c7c8454
Source of Spectrum SO-0-626-3
Wiley ID 1543342