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D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-4,5-O -(1-methylethylidene)-, 2-benzoate
SpectraBase Compound ID DWvfy7lBqsD
InChI InChI=1S/C20H22N2O7/c1-20(2)28-14-11-26-16(17(14)29-20)13(10-22-9-8-15(23)21-19(22)25)27-18(24)12-6-4-3-5-7-12/h3-9,13-14,16-17H,10-11H2,1-2H3,(H,21,23,25)
InChIKey SHRZHLLWGHTNKC-UHFFFAOYSA-N
Mol Weight 402.4 g/mol
Molecular Formula C20H22N2O7
Exact Mass 402.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzSjZby0P8z
Name D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-4,5-O -(1-methylethylidene)-, 2-benzoate
Alternate Name(s) 1-{2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl}-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethyl benzoate 3,6-Anhydro-2-O-benzoly-1-desoxy-4,5-O-isopropylidene-1-(uracil-1-yl)-D-glucitol Furo[3,4-d]-1,3-dioxole, D-glucitol deriv.
CAS Registry Number 53577-86-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O7
InChI InChI=1S/C20H22N2O7/c1-20(2)28-14-11-26-16(17(14)29-20)13(10-22-9-8-15(23)21-19(22)25)27-18(24)12-6-4-3-5-7-12/h3-9,13-14,16-17H,10-11H2,1-2H3,(H,21,23,25)
InChIKey SHRZHLLWGHTNKC-UHFFFAOYSA-N
Molecular Weight 402.403 g/mol
SMILES N1C(C=CN(C1=O)CC(C1C2C(OC(O2)(C)C)CO1)OC(=O)c1ccccc1)=O
SPLASH splash10-0a4i-0920000000-9af3698f56289eaaf545
Source of Spectrum AC-74-1391-6
Wiley ID 1370252