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4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]benzonitrile
SpectraBase Compound ID 1SvhowVyoub
InChI InChI=1S/C16H15N3O5/c17-6-9-1-3-10(4-2-9)11-7-19(16(23)18-15(11)22)14-5-12(21)13(8-20)24-14/h1-4,7,12-14,20-21H,5,8H2,(H,18,22,23)/t12-,13+,14+/m0/s1
InChIKey DHUVNAYILSHSBB-BFHYXJOUSA-N
Mol Weight 329.31 g/mol
Molecular Formula C16H15N3O5
Exact Mass 329.101171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XK8biGpwz1
Name 4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]benzonitrile
Alternate Name(s) 4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]benzonitrile 4-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]benzonitrile 4-[1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2,4-diketo-pyrimidin-5-yl]benzonitrile 4-[1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]benzenecarbonitrile
CAS Registry Number 92524-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N3O5
InChI InChI=1S/C16H15N3O5/c17-6-9-1-3-10(4-2-9)11-7-19(16(23)18-15(11)22)14-5-12(21)13(8-20)24-14/h1-4,7,12-14,20-21H,5,8H2,(H,18,22,23)/t12-,13+,14+/m0/s1
InChIKey DHUVNAYILSHSBB-BFHYXJOUSA-N
Molecular Weight 329.312 g/mol
SMILES N1C(C(=CN([C@]2(C[C@@]([C@](O2)(CO)[H])(O)[H])[H])C1=O)c1ccc(C#N)cc1)=O
SPLASH splash10-014i-0931000000-8bafecf62c34d98eead0
Source of Spectrum J-52-3630-14
Wiley ID 1327011