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1-[5-Amino-1-((3aR,4R,6R,6aR)-6-hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-1H-pyrazol-4-yl]-2,2,2-trifluoro-1-phenyl-ethanol

View entire compound with spectra: 1 MS (GC)

1-[5-Amino-1-((3aR,4R,6R,6aR)-6-hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-1H-pyrazol-4-yl]-2,2,2-trifluoro-1-phenyl-ethanol
SpectraBase Compound ID IuiALRIFDWt
InChI InChI=1S/C19H22F3N3O5/c1-17(2)29-13-12(9-26)28-16(14(13)30-17)25-15(23)11(8-24-25)18(27,19(20,21)22)10-6-4-3-5-7-10/h3-8,12-14,16,26-27H,9,23H2,1-2H3/t12-,13-,14-,16-,18?/m1/s1
InChIKey GKZKMEJVQOCOAC-IRRIQHRTSA-N
Mol Weight 429.4 g/mol
Molecular Formula C19H22F3N3O5
Exact Mass 429.151155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqyFLFZgcOX
Name 1-[5-Amino-1-((3aR,4R,6R,6aR)-6-hydroxymethyl-2,2-dimethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-yl)-1H-pyrazol-4-yl]-2,2,2-trifluoro-1-phenyl-ethanol
Alternate Name(s) 1-[5-Amino-1-(2,3-o-isopropylidene-,beta.,D-ribofuranosyl)-1H-pyrazol-4-yl]-2,2,2-trifluoro-1-phenylethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22F3N3O5
InChI InChI=1S/C19H22F3N3O5/c1-17(2)29-13-12(9-26)28-16(14(13)30-17)25-15(23)11(8-24-25)18(27,19(20,21)22)10-6-4-3-5-7-10/h3-8,12-14,16,26-27H,9,23H2,1-2H3/t12-,13-,14-,16-,18?/m1/s1
InChIKey GKZKMEJVQOCOAC-IRRIQHRTSA-N
Molecular Weight 429.396 g/mol
SMILES OC[C@@]1([C@@]2([C@]([C@]([n]3ncc(c3N)C(C(F)(F)F)(c3ccccc3)O)(O1)[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-0a4i-1259300000-74ab9ac67bf13076320a
Source of Spectrum F4-41-737-15d
Wiley ID 1671993