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D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidin yl)-4,5-o-(1-methylethylidene)-, 2-benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidin yl)-4,5-o-(1-methylethylidene)-, 2-benzoate
SpectraBase Compound ID 5OSFC1GxKlf
InChI InChI=1S/C21H24N2O7/c1-12-9-23(20(26)22-18(12)24)10-14(28-19(25)13-7-5-4-6-8-13)16-17-15(11-27-16)29-21(2,3)30-17/h4-9,14-17H,10-11H2,1-3H3,(H,22,24,26)
InChIKey AJFFHVLGLHBIHN-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C21H24N2O7
Exact Mass 416.158351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Mqwqq81Z2n
Name D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidin yl)-4,5-o-(1-methylethylidene)-, 2-benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.158351114 u
Formula C21H24N2O7
InChI InChI=1S/C21H24N2O7/c1-12-9-23(20(26)22-18(12)24)10-14(28-19(25)13-7-5-4-6-8-13)16-17-15(11-27-16)29-21(2,3)30-17/h4-9,14-17H,10-11H2,1-3H3,(H,22,24,26)
InChIKey AJFFHVLGLHBIHN-UHFFFAOYSA-N
Molecular Weight 416.430 g/mol
SMILES C1(NC(C(=CN1CC(C1C2C(OC(O2)(C)C)CO1)OC(=O)C=1C=CC=CC1)C)=O)=O