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5-[(E)-2-bromanylethenyl]-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
SpectraBase Compound ID KExpVR1NPb7
InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m0/s1
InChIKey GCQYYIHYQMVWLT-AADLVWAJSA-N
Mol Weight 349.14 g/mol
Molecular Formula C11H13BrN2O6
Exact Mass 347.995699 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9WUFymSYaC
Name 5-[(E)-2-bromanylethenyl]-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
Alternate Name(s) 5-[(E)-2-bromoethenyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione 5-[(E)-2-bromoethenyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione 5-[(E)-2-bromovinyl]-1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidine-2,4-quinone 5-[(E)-2-bromovinyl]-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
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Formula C11H13BrN2O6
InChI InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m0/s1
InChIKey GCQYYIHYQMVWLT-AADLVWAJSA-N
Molecular Weight 349.137 g/mol
SMILES O[C@]1([C@@](O[C@@]([C@@]1(O)[H])(N1C(NC(C(=C1)\C=C\Br)=O)=O)[H])(CO)[H])[H]
SPLASH splash10-0f6t-0009000000-fb31da12d745b2ca27ec
Source of Spectrum F-51-1062-10
Wiley ID 790810