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N-(2',3',5'-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-8-CHLORO-2-TRIFLUOROACETYL-3-TRIFLUOROMETHYL-5-METHOXY-4H-1,4-BENZOTHIAZINE

View entire compound with spectra: 1 NMR

N-(2',3',5'-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-8-CHLORO-2-TRIFLUOROACETYL-3-TRIFLUOROMETHYL-5-METHOXY-4H-1,4-BENZOTHIAZINE
SpectraBase Compound ID AJZuPfxoPSw
InChI InChI=1S/C38H32ClF6NO6S/c1-48-27-18-17-26(39)32-29(27)46(34(37(40,41)42)33(53-32)35(47)38(43,44)45)36-31(51-21-25-15-9-4-10-16-25)30(50-20-24-13-7-3-8-14-24)28(52-36)22-49-19-23-11-5-2-6-12-23/h2-18,28,30-31,36H,19-22H2,1H3/t28-,30-,31-,36-/m0/s1
InChIKey OEJRITFDDKXEGF-VOVFHQBESA-N
Mol Weight 780.2 g/mol
Molecular Formula C38H32ClF6NO6S
Exact Mass 779.154306 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KkJo3pNWbEC
Name N-(2',3',5'-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-8-CHLORO-2-TRIFLUOROACETYL-3-TRIFLUOROMETHYL-5-METHOXY-4H-1,4-BENZOTHIAZINE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H32ClF6NO6S
InChI InChI=1S/C38H32ClF6NO6S/c1-48-27-18-17-26(39)32-29(27)46(34(37(40,41)42)33(53-32)35(47)38(43,44)45)36-31(51-21-25-15-9-4-10-16-25)30(50-20-24-13-7-3-8-14-24)28(52-36)22-49-19-23-11-5-2-6-12-23/h2-18,28,30-31,36H,19-22H2,1H3/t28-,30-,31-,36-/m0/s1
InChIKey OEJRITFDDKXEGF-VOVFHQBESA-N
Literature Reference Author N.KHANDELWAL,ABHILASHA,N.GAUTAM,D.C.GAUTAM
Literature Reference Citation J.CHEM.SCI.,125,85(2013)
Literature Reference DOI 10.1007/s12039-013-0363-4
Solvent CDCl3
Source File Reference UWBT11305