John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ElAdlmytCYI SpectraBase Spectrum ID=28gnynMo9jp

(accessed ).
(+/-)-1-[(3'-BETA,5'-BETA)-5'-(HYDROXYMETHYL)-THIAN-3'-YL]-2,4(1H,3H)-PYRIMIDINEDIONE-S-OXIDE;MINOR;(EQUATORIAL-S=O)
SpectraBase Compound ID ElAdlmytCYI
InChI InChI=1S/C10H14N2O4S/c13-4-7-3-8(6-17(16)5-7)12-2-1-9(14)11-10(12)15/h1-2,7-8,13H,3-6H2,(H,11,14,15)/t7-,8-,17?/m1/s1
InChIKey NFCKJEVFTIIMMJ-KLBCQMGOSA-N
Mol Weight 258.29 g/mol
Molecular Formula C10H14N2O4S
Exact Mass 258.067429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28gnynMo9jp
Name (+/-)-1-[(3'-BETA,5'-BETA)-5'-(HYDROXYMETHYL)-THIAN-3'-YL]-2,4(1H,3H)-PYRIMIDINEDIONE-S-OXIDE;MINOR;(EQUATORIAL-S=O)
Compound Number 10
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Formula C10H14N2O4S
InChI InChI=1S/C10H14N2O4S/c13-4-7-3-8(6-17(16)5-7)12-2-1-9(14)11-10(12)15/h1-2,7-8,13H,3-6H2,(H,11,14,15)/t7-,8-,17?/m1/s1
InChIKey NFCKJEVFTIIMMJ-KLBCQMGOSA-N
Literature Reference Author P.G.HULTIN,W.A.SZAREK
Literature Reference Citation CAN.J.CHEM.,72,208(1994)
Literature Reference DOI 10.1139/v94-032
Molecular Weight 258.292 g/mol
Solvent D2O
Source File Reference UWVP3021
SpectraBase Batch ID LhX5eNY9HaM