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5-Benzoyl-4-hydroxy-1-(.beta.,D-ribofuranosyl)-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
SpectraBase Compound ID G1RC1yuwSf
InChI InChI=1S/C17H17F3N2O7/c18-17(19,20)16(28)9(11(24)8-4-2-1-3-5-8)6-22(15(27)21-16)14-13(26)12(25)10(7-23)29-14/h1-6,10,12-14,23,25-26,28H,7H2,(H,21,27)/t10-,12-,13-,14-,16?/m1/s1
InChIKey UCGKOFULPVVYSI-BTVNHDEBSA-N
Mol Weight 418.33 g/mol
Molecular Formula C17H17F3N2O7
Exact Mass 418.098785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Xeuejh7eWL
Name 5-Benzoyl-4-hydroxy-1-(.beta.,D-ribofuranosyl)-4-(trifluoromethyl)-3,4-dihydro-1H-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3N2O7
InChI InChI=1S/C17H17F3N2O7/c18-17(19,20)16(28)9(11(24)8-4-2-1-3-5-8)6-22(15(27)21-16)14-13(26)12(25)10(7-23)29-14/h1-6,10,12-14,23,25-26,28H,7H2,(H,21,27)/t10-,12-,13-,14-,16?/m1/s1
InChIKey UCGKOFULPVVYSI-BTVNHDEBSA-N
Molecular Weight 418.325 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])(N1C(NC(C(=C1)C(=O)c1ccccc1)(C(F)(F)F)O)=O)[H])(CO)[H])[H]
SPLASH splash10-014i-0391300000-f44ba1694fe65200d1fe
Source of Spectrum KC-57-7374-11
Synonyms 5-Benzoyl-1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-4-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-2-one
Wiley ID 1625443