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2,2'-anhydro-1-(ß-D-arabinofuranosyl)cytosine, 3',5'-bis-(4-phenylbutyrate), compound with hydrogen tetrafluoroborate(1:1)

View entire compound with spectra: 1 NMR, and 1 FTIR

2,2'-anhydro-1-(ß-D-arabinofuranosyl)cytosine, 3',5'-bis-(4-phenylbutyrate), compound with hydrogen tetrafluoroborate(1:1)
SpectraBase Compound ID EGy3zHA6lZ8
InChI InChI=1S/C29H31N3O6.BF4/c30-23-17-18-32-28-27(38-29(32)31-23)26(37-25(34)16-8-14-21-11-5-2-6-12-21)22(36-28)19-35-24(33)15-7-13-20-9-3-1-4-10-20;2-1(3,4)5/h1-6,9-12,17-18,22,26-28,30H,7-8,13-16,19H2;/q;-1/t22-,26-,27+,28-;/m1./s1
InChIKey NURSUMNNFLWSAU-NMYARZKOSA-N
Mol Weight 605.4 g/mol
Molecular Formula C29H32BF4N3O6
Exact Mass 605.232029 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 78jc3dJkaKZ
Name 2,2'-ANHYDRO-1-(beta-D-ARABINOFURANOSYL)CYTOSINE, 3',5'-BIS-(4-PHENYLBUTYRATE), COMPOUND WITH HYDROGEN TETRAFLUOROBORATE (1:1)
Source of Sample K. Kondo, Tanabe Seiyaku Company Ltd., Osaka, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32BF4N3O6
InChI InChI=1S/C29H31N3O6.BF4/c30-23-17-18-32-28-27(38-29(32)31-23)26(37-25(34)16-8-14-21-11-5-2-6-12-21)22(36-28)19-35-24(33)15-7-13-20-9-3-1-4-10-20;2-1(3,4)5/h1-6,9-12,17-18,22,26-28,30H,7-8,13-16,19H2;/q;-1/t22-,26-,27+,28-;/m1./s1
InChIKey NURSUMNNFLWSAU-NMYARZKOSA-N
Literature Reference J. ORG. CHEM. 42, 2809(1977) Abstract-Chemical Abstracts= 87, 118032(1977)
Melting Point 103-105C
Molecular Weight 605.393 g/mol
Synonyms CYTOSINE, 2,2*-ANHYDRO-1-/B-D- ARABINOFURANOSYL/-, 3*,5*-BIS/4-PHENYL- BUTYRATE/, CMPD WITH HYDROGEN TETRA- FLUOROBORATE /1 TO 1/
Technique KBr WAFER