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2'-Deoxy-3'-O-benzoylribosethymine
SpectraBase Compound ID FBMufGpy8V6
InChI InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13-,14-/m1/s1
InChIKey CZRPYTUJUAJMJJ-MGPQQGTHSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GyMkTY9NcX
Name 2'-Deoxy-3'-O-benzoylribosethymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-10-8-19(17(23)18-15(10)21)14-7-12(13(9-20)24-14)25-16(22)11-5-3-2-4-6-11/h2-6,8,12-14,20H,7,9H2,1H3,(H,18,21,23)/t12-,13-,14-/m1/s1
InChIKey CZRPYTUJUAJMJJ-MGPQQGTHSA-N
Molecular Weight 346.339 g/mol
SMILES N1C(C(=CN([C@@]2(O[C@](CO)([C@@](C2)(OC(=O)c2ccccc2)[H])[H])[H])C1=O)C)=O
SPLASH splash10-0a6r-6910000000-08903667abd13bb98d52
Source of Spectrum SO-0-626-3
Synonyms benzoic acid [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate [(2R,3R,5R)-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] benzoate
Wiley ID 1543343