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4-AMINO-1-[(4R)-3,3-DIFLUORO-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-THIOPHEN-2-YL]-1H-PYRIMIDIN-2-ONE
SpectraBase Compound ID 1SRNU5TF7nF
InChI InChI=1S/C9H11F2N3O3S/c10-9(11)5(16)3-18-8(9,4-15)14-2-1-6(12)13-7(14)17/h1-2,5,15-16H,3-4H2,(H2,12,13,17)/t5-,8+/m1/s1
InChIKey HLCYXRJDNOPBAM-XRGYYRRGSA-N
Mol Weight 279.26 g/mol
Molecular Formula C9H11F2N3O3S
Exact Mass 279.048919 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bpfg2kevs0x
Name 4-AMINO-1-[(4R)-3,3-DIFLUORO-4-HYDROXY-2-HYDROXYMETHYL-TETRAHYDRO-THIOPHEN-2-YL]-1H-PYRIMIDIN-2-ONE
Compound Number 29B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H11F2N3O3S
InChI InChI=1S/C9H11F2N3O3S/c10-9(11)5(16)3-18-8(9,4-15)14-2-1-6(12)13-7(14)17/h1-2,5,15-16H,3-4H2,(H2,12,13,17)/t5-,8+/m1/s1
InChIKey HLCYXRJDNOPBAM-XRGYYRRGSA-N
Literature Reference Author X.ZHANG,H.XIA,X.DONG,J.JIN,W.D.MENG,F.L.QING
Literature Reference Citation J.ORG.CHEM.,68,9026(2003)
Literature Reference DOI 10.1021/jo034512i
Solvent CD3OD
Source File Reference UWVN25697