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1-[(2R,3S,4R)-3,4-Epoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]thymine
SpectraBase Compound ID Cj1n23l4vo8
InChI InChI=1S/C11H13N3O5/c1-5-3-13(10(16)12-8(5)15)9-7-6(19-7)4-14(9)11(17)18-2/h3,6-7,9H,4H2,1-2H3,(H,12,15,16)/t6-,7-,9+/m0/s1
InChIKey BYJBGFZHQYVIII-ACLDMZEESA-N
Mol Weight 267.24 g/mol
Molecular Formula C11H13N3O5
Exact Mass 267.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLWzQX8t8Ww
Name 1-[(2R,3S,4R)-3,4-Epoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]thymine
Alternate Name(s) (1R,2R,5S)-2-(5-methyl-2,4-dioxo-1-pyrimidinyl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylic acid methyl ester Methyl (1R,2R,5S)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate Methyl (1R,2R,5S)-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate Methyl (1R,2R,5S)-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
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Formula C11H13N3O5
InChI InChI=1S/C11H13N3O5/c1-5-3-13(10(16)12-8(5)15)9-7-6(19-7)4-14(9)11(17)18-2/h3,6-7,9H,4H2,1-2H3,(H,12,15,16)/t6-,7-,9+/m0/s1
InChIKey BYJBGFZHQYVIII-ACLDMZEESA-N
Molecular Weight 267.241 g/mol
SMILES N1C(C(=CN(C1=O)[C@]1([C@@]2([C@]([H])(CN1C(=O)OC)O2)[H])[H])C)=O
SPLASH splash10-00mo-0930000000-03edd13df9f6f43fd98b
Source of Spectrum U1-2010-6639-40
Wiley ID 1664741