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1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(1,2,4-triazol-1-yl)-2-pyrimidinone
SpectraBase Compound ID GVxhw0OF8X6
InChI InChI=1S/C11H13N5O5/c17-3-6-8(18)9(19)10(21-6)15-2-1-7(14-11(15)20)16-5-12-4-13-16/h1-2,4-6,8-10,17-19H,3H2/t6-,8-,9-,10-/m1/s1
InChIKey TYXGGRRHTHFYJA-PEBGCTIMSA-N
Mol Weight 295.25 g/mol
Molecular Formula C11H13N5O5
Exact Mass 295.091669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZfnLZnIxwF
Name 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-(1,2,4-triazol-1-yl)-2-pyrimidinone
Alternate Name(s) 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-4-(1,2,4-triazol-1-yl)pyrimidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H13N5O5
InChI InChI=1S/C11H13N5O5/c17-3-6-8(18)9(19)10(21-6)15-2-1-7(14-11(15)20)16-5-12-4-13-16/h1-2,4-6,8-10,17-19H,3H2/t6-,8-,9-,10-/m1/s1
InChIKey TYXGGRRHTHFYJA-PEBGCTIMSA-N
Molecular Weight 295.255 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(N=C(C=C1)[n]1ncnc1)=O)[H])(CO)[H])[H]
SPLASH splash10-03di-0900000000-a5801d6125eff61bb1de
Source of Spectrum J-60-7069-4
Wiley ID 1297950