BETA-D-RIBOPYRANOSE 1,2,3,4-TETRAACETATE(4049-34-7) IR1
Product NameBETA-D-RIBOPYRANOSE 1,2,3,4-TETRAACETATE
CAS4049-34-7
Molecular FormulaC13H18O9
Molecular Weight318.28
InChIInChI=1/C13H18O9/c1-6(14)19-10-5-18-13(22-9(4)17)12(21-8(3)16)11(10)20-7(2)15/h10-13H,5H2,1-4H3/t10-,11-,12-,13+/s3
InChIKey MJOQJPYNENPSSS-PDVQOHKZNA-N
SmilesO([C@@H]1[C@@H](CO[C@@H](OC(=O)C)[C@@H]1OC(=O)C)OC(=O)C)C(=O)C |&1:1,2,5,10,r|
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MassMS-IW-4917 beta-D-ribopyranose 1,2,3,4-tetraacetate C13H18O9 (Mass of molecular ion: 318)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 4.6 18.0 1.2 28.0 1.8 41.0 1.1 42.0 2.3 43.0 100.0 44.0 5.3 45.0 1.4 55.0 1.0 57.0 2.2 60.0 1.7 61.0 1.8 68.0 9.3 69.0 14.5 70.0 1.1 71.0 1.5 73.0 5.8 85.0 5.9 86.0 16.2 87.0 1.0 97.0 8.6 98.0 1.3 99.0 2.1 100.0 2.7 102.0 2.1 103.0 21.4 113.0 2.2 114.0 6.0 115.0 33.5 116.0 2.0 127.0 3.5 128.0 55.8 129.0 4.2 139.0 6.9 145.0 7.7 156.0 2.5 157.0 20.0 158.0 1.6 170.0 61.8 171.0 6.5 173.0 2.6 216.0 6.4 259.0 6.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H18 O9 0.040 g : 0.5 ml DMSO-d6 beta-D-ribopyranose 1,2,3,4-tetraacetate 
Assign. Shift(ppm)
A 5.884 B 5.361 C 5.116 D 4.983 E 4.034 F 3.802 G *1 2.115 J *1 2.062 K *1 2.043 L *1 2.017 ASSIGNED BY H-H COSY
Hz ppm Int.2354.00 5.891 148 2349.61 5.880 150 2146.36 5.371 67 2142.94 5.363 133 2139.40 5.354 73 2047.12 5.123 58 2044.92 5.117 52 2042.11 5.110 59 1995.85 4.994 65 1995.24 4.993 67 1991.58 4.984 111 1987.92 4.975 64 1987.30 4.973 60 1620.73 4.056 49 1617.55 4.048 50 1608.28 4.025 66 1605.10 4.017 60 1527.83 3.823 71 1522.58 3.810 72 1515.38 3.792 60 1510.13 3.779 58 845.46 2.116 994 824.22 2.063 1000 816.77 2.044 987 806.03 2.017 969
in DMSO-d6
KBr disc
nujol mull
