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1-[(2R,4R)-4-Acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]thymine
SpectraBase Compound ID LuoaUHOWQWT
InChI InChI=1S/C13H17N3O6/c1-7-5-15(12(19)14-11(7)18)10-4-9(22-8(2)17)6-16(10)13(20)21-3/h5,9-10H,4,6H2,1-3H3,(H,14,18,19)/t9-,10-/m1/s1
InChIKey MAGDXQQGIQDCKP-NXEZZACHSA-N
Mol Weight 311.29 g/mol
Molecular Formula C13H17N3O6
Exact Mass 311.111735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCdABCI3aIZ
Name 1-[(2R,4R)-4-Acetoxy-N-(methoxycarbonyl)-2-pyrrolidinyl]thymine
Comments Less than 3 mono-isotopic peaks
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Formula C13H17N3O6
InChI InChI=1S/C13H17N3O6/c1-7-5-15(12(19)14-11(7)18)10-4-9(22-8(2)17)6-16(10)13(20)21-3/h5,9-10H,4,6H2,1-3H3,(H,14,18,19)/t9-,10-/m1/s1
InChIKey MAGDXQQGIQDCKP-NXEZZACHSA-N
Molecular Weight 311.294 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(N(C(=O)OC)C[C@@](C1)(OC(=O)C)[H])[H])C)=O
SPLASH splash10-004i-0900000000-ef5f33dd35a15ce53df5
Source of Spectrum U1-2010-3851-22
Wiley ID 1664023