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5-Isopropyl-1-(.beta.,D-ribofuranosyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID Kbo2L6X7xxE
InChI InChI=1S/C13H17F3N2O5/c1-5(2)6-3-18(12(22)17-10(6)13(14,15)16)11-9(21)8(20)7(4-19)23-11/h3,5,7-9,11,19-21H,4H2,1-2H3/t7-,8-,9-,11?/m1/s1
InChIKey MTLVOSHUFAXRRZ-YIPHXTPMSA-N
Mol Weight 338.28 g/mol
Molecular Formula C13H17F3N2O5
Exact Mass 338.108956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6c5bQRgiFQ
Name 5-Isopropyl-1-(.beta.,D-ribofuranosyl)-4-(trifluoromethyl)-1H-pyrimidin-2-one
Alternate Name(s) 1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-yl)-4-(trifluoromethyl)-1,2-dihydropyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17F3N2O5
InChI InChI=1S/C13H17F3N2O5/c1-5(2)6-3-18(12(22)17-10(6)13(14,15)16)11-9(21)8(20)7(4-19)23-11/h3,5,7-9,11,19-21H,4H2,1-2H3/t7-,8-,9-,11?/m1/s1
InChIKey MTLVOSHUFAXRRZ-YIPHXTPMSA-N
Molecular Weight 338.283 g/mol
SMILES O[C@@]1([C@](OC([C@@]1(O)[H])N1C(N=C(C(=C1)C(C)C)C(F)(F)F)=O)(CO)[H])[H]
SPLASH splash10-0a4i-0391000000-c360699fc493036cab92
Source of Spectrum KC-57-7374-13
Wiley ID 1625439