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1-(2-Deoxy-.beta.,D-erythropentofuranosyl)-5-isopropyl-4-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID 4EAfW8MpNKY
InChI InChI=1S/C13H17F3N2O4/c1-6(2)7-4-18(10-3-8(20)9(5-19)22-10)12(21)17-11(7)13(14,15)16/h4,6,8-10,19-20H,3,5H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey NTSKNZYMILHCMP-IVZWLZJFSA-N
Mol Weight 322.28 g/mol
Molecular Formula C13H17F3N2O4
Exact Mass 322.114042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AF7tTL3ceEQ
Name 1-(2-Deoxy-.beta.,D-erythropentofuranosyl)-5-isopropyl-4-(trifluoromethyl)-1H-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17F3N2O4
InChI InChI=1S/C13H17F3N2O4/c1-6(2)7-4-18(10-3-8(20)9(5-19)22-10)12(21)17-11(7)13(14,15)16/h4,6,8-10,19-20H,3,5H2,1-2H3/t8-,9+,10+/m0/s1
InChIKey NTSKNZYMILHCMP-IVZWLZJFSA-N
Molecular Weight 322.284 g/mol
SMILES OC[C@]1(O[C@](C[C@@]1(O)[H])(N1C(N=C(C(=C1)C(C)C)C(F)(F)F)=O)[H])[H]
SPLASH splash10-014l-0900000000-bf8677ae3d3a887312c0
Source of Spectrum KC-57-7374-17
Synonyms 1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(propan-2-yl)-4-(trifluoromethyl)-1,2-dihydropyrimidin-2-one
Wiley ID 1625438