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[(1R,2R,3R,4R)-2,3-dibenzyloxy-4-(2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
SpectraBase Compound ID CEgAaePOkkU
InChI InChI=1S/C26H28N2O6/c1-18(29)32-17-21-14-22(28-13-12-23(30)27-26(28)31)25(34-16-20-10-6-3-7-11-20)24(21)33-15-19-8-4-2-5-9-19/h2-13,21-22,24-25H,14-17H2,1H3,(H,27,30,31)/t21-,22-,24-,25-/m1/s1
InChIKey PZMRKKVNQAZYGN-WMMXXEOUSA-N
Mol Weight 464.52 g/mol
Molecular Formula C26H28N2O6
Exact Mass 464.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElfEjFnndpD
Name [(1R,2R,3R,4R)-2,3-dibenzyloxy-4-(2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
Alternate Name(s) [(1R,2R,3R,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methyl acetate [(1R,2R,3R,4R)-4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,3-bis(phenylmethoxy)cyclopentyl]methyl ethanoate acetic acid [(1R,2R,3R,4R)-4-(2,4-dioxo-1-pyrimidinyl)-2,3-bis(phenylmethoxy)cyclopentyl]methyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28N2O6
InChI InChI=1S/C26H28N2O6/c1-18(29)32-17-21-14-22(28-13-12-23(30)27-26(28)31)25(34-16-20-10-6-3-7-11-20)24(21)33-15-19-8-4-2-5-9-19/h2-13,21-22,24-25H,14-17H2,1H3,(H,27,30,31)/t21-,22-,24-,25-/m1/s1
InChIKey PZMRKKVNQAZYGN-WMMXXEOUSA-N
Molecular Weight 464.518 g/mol
SMILES N1C(C=CN(C1=O)[C@]1([C@]([C@](OCc2ccccc2)([C@](C1)(COC(=O)C)[H])[H])(OCc1ccccc1)[H])[H])=O
SPLASH splash10-0006-9000000000-7fd74506b155164e8035
Source of Spectrum F-50-9972-18
Wiley ID 1391515