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2,2'-anhydro-1-(ß-D-arabinofuranosyl)cytosine, 3',5' diacetate, compound with hydrogen tetrafluoroborate(1:1), monohydrate

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

2,2'-anhydro-1-(ß-D-arabinofuranosyl)cytosine, 3',5' diacetate, compound with hydrogen tetrafluoroborate(1:1), monohydrate
SpectraBase Compound ID 7IvszSP7Oaf
InChI InChI=1S/C13H15N3O6.BF4.H2O/c1-6(17)19-5-8-10(20-7(2)18)11-12(21-8)16-4-3-9(14)15-13(16)22-11;2-1(3,4)5;/h3-4,8,10-12,14H,5H2,1-2H3;;1H2/q;-1;/t8-,10-,11+,12+;;/m0../s1
InChIKey LLMNZTVSCLFQEN-IGYRJSQWSA-N
Mol Weight 415.105 g/mol
Molecular Formula C13H18BF4N3O7
Exact Mass 415.117393 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AxL6hPxMPQ5
Name 2,2'-ANHYDRO-1-(beta-D-ARABINOFURANOSYL)CYTOSINE, 3',5'-DIACETATE, COMPOUND WITH HYDROGEN TETRAFLUOROBORATE (1:1), MONOHYDRATE
Source of Sample K. Kondo, Tanabe Seiyaku Company Ltd., Osaka, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18BF4N3O7
InChI InChI=1S/C13H15N3O6.BF4.H2O/c1-6(17)19-5-8-10(20-7(2)18)11-12(21-8)16-4-3-9(14)15-13(16)22-11;2-1(3,4)5;/h3-4,8,10-12,14H,5H2,1-2H3;;1H2/q;-1;/t8-,10-,11+,12+;;/m0../s1
InChIKey LLMNZTVSCLFQEN-IGYRJSQWSA-N
Literature Reference J. ORG. CHEM. 42, 2809(1977) Abstract-Chemical Abstracts= 87, 118032(1977)
Melting Point 150-151C
Molecular Weight 415.105 g/mol
Synonyms CYTOSINE, 2,2*-ANHYDRO-1-/B-D- ARABINOFURANOSYL/-, 3*,5*-DIACETATE, CMPD WITH HYDROGEN TETRAFLUOROBORATE /1 TO 1/, MONOHYDRATE
Technique KBr WAFER