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Acetic acid, 4-acetoxy-2-[2-(acetylthio)ethyl]-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)tetrahydrofuran-3-ylmethyl ester
SpectraBase Compound ID 9rdEcHWAQ2Y
InChI InChI=1S/C17H22N2O8S/c1-9(20)25-8-12-13(5-7-28-11(3)22)27-16(15(12)26-10(2)21)19-6-4-14(23)18-17(19)24/h4,6,12-13,15-16H,5,7-8H2,1-3H3,(H,18,23,24)/t12-,13-,15-,16-/m1/s1
InChIKey DFMYJOGLDULZLJ-RRCSTGOVSA-N
Mol Weight 414.43 g/mol
Molecular Formula C17H22N2O8S
Exact Mass 414.109687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BF8izAvG8D
Name Acetic acid, 4-acetoxy-2-[2-(acetylthio)ethyl]-5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)tetrahydrofuran-3-ylmethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N2O8S
InChI InChI=1S/C17H22N2O8S/c1-9(20)25-8-12-13(5-7-28-11(3)22)27-16(15(12)26-10(2)21)19-6-4-14(23)18-17(19)24/h4,6,12-13,15-16H,5,7-8H2,1-3H3,(H,18,23,24)/t12-,13-,15-,16-/m1/s1
InChIKey DFMYJOGLDULZLJ-RRCSTGOVSA-N
Molecular Weight 414.429 g/mol
SMILES N1C(C=CN(C1=O)[C@]1([C@@]([C@@]([C@](O1)(CCSC(=O)C)[H])(COC(=O)C)[H])(OC(=O)C)[H])[H])=O
SPLASH splash10-0006-9510000000-8a89d44791a1d82dd13f
Synonyms [4-acetoxy-2-(2-acetylsulfanylethyl)-5-(2,4-dioxopyrimidin-1-yl)tetrahydrofuran-3-yl]methyl acetate [4-acetyloxy-2-(2-acetylsulfanylethyl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]methyl acetate [4-acetyloxy-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(2-ethanoylsulfanylethyl)oxolan-3-yl]methyl ethanoate Acetic acid [4-acetyloxy-2-[2-(acetylthio)ethyl]-5-(2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]methyl ester
Wiley ID 1483535