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1-(2,3,5-Tri-O-acetyl-.beta.-D-ribofuranosyl)-4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SpectraBase Compound ID Gn3C0ZZCOlb
InChI InChI=1S/C20H18F6N2O7/c1-8(29)32-7-13-15(33-9(2)30)16(34-10(3)31)18(35-13)28-5-4-11-12(19(21,22)23)6-14(20(24,25)26)27-17(11)28/h4-6,13,15-16,18H,7H2,1-3H3/t13-,15-,16-,18-/m1/s1
InChIKey RXCICFMNCWTWBL-GFOCRRMGSA-N
Mol Weight 512.36 g/mol
Molecular Formula C20H18F6N2O7
Exact Mass 512.10182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7dOT5efquX
Name 1-(2,3,5-Tri-O-acetyl-.beta.-D-ribofuranosyl)-4,6-bis(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Alternate Name(s) Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-(4,6-bis-trifluoromethyl-pyrrolo[2,3-b]pyridin-1-yl)-tetrahydro-furan-3-yl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18F6N2O7
InChI InChI=1S/C20H18F6N2O7/c1-8(29)32-7-13-15(33-9(2)30)16(34-10(3)31)18(35-13)28-5-4-11-12(19(21,22)23)6-14(20(24,25)26)27-17(11)28/h4-6,13,15-16,18H,7H2,1-3H3/t13-,15-,16-,18-/m1/s1
InChIKey RXCICFMNCWTWBL-GFOCRRMGSA-N
Molecular Weight 512.361 g/mol
SMILES [C@@]1([n]2c3nc(C(F)(F)F)cc(c3cc2)C(F)(F)F)([C@@]([C@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0553-0964210000-2f47f9dc81b9404e3ad0
Source of Spectrum F4-41-1856-21a
Wiley ID 1672477