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2-[2',3',5'-Tris-( o-benzyl)-.beta.-D-ribofuranosyl]-3,6-bis(trifluoromethyl)pyridine

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2-[2',3',5'-Tris-( o-benzyl)-.beta.-D-ribofuranosyl]-3,6-bis(trifluoromethyl)pyridine
SpectraBase Compound ID BSfTQ3ykDqE
InChI InChI=1S/C33H29F6NO4/c34-32(35,36)25-16-17-27(33(37,38)39)40-28(25)30-31(43-20-24-14-8-3-9-15-24)29(42-19-23-12-6-2-7-13-23)26(44-30)21-41-18-22-10-4-1-5-11-22/h1-17,26,29-31H,18-21H2/t26-,29-,30+,31-/m1/s1
InChIKey WYWBJOLLKZCOLF-ZQSJDURZSA-N
Mol Weight 617.6 g/mol
Molecular Formula C33H29F6NO4
Exact Mass 617.200077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6WpTTBzYKWj
Name 2-[2',3',5'-Tris-( o-benzyl)-.beta.-D-ribofuranosyl]-3,6-bis(trifluoromethyl)pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 617.200077392 u
Formula C33H29F6NO4
InChI InChI=1S/C33H29F6NO4/c34-32(35,36)25-16-17-27(33(37,38)39)40-28(25)30-31(43-20-24-14-8-3-9-15-24)29(42-19-23-12-6-2-7-13-23)26(44-30)21-41-18-22-10-4-1-5-11-22/h1-17,26,29-31H,18-21H2/t26-,29-,30+,31-/m1/s1
InChIKey WYWBJOLLKZCOLF-ZQSJDURZSA-N
Molecular Weight 617.588 g/mol
SMILES [C@@]1(C2=C(C(F)(F)F)C=CC(C(F)(F)F)=N2)([C@@]([C@](OCC=2C=CC=CC2)([C@](O1)(COCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])[H]