beta-D-Arabinopyranose (9CI)(6748-95-4) MS
Product Namebeta-D-Arabinopyranose (9CI)
CAS6748-95-4
Molecular FormulaC5H10O5
Molecular Weight150.13
InChIInChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/s3
InChIKey SRBFZHDQGSBBOR-NTFFWLJGNA-N
SmilesO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O |&1:1,4,6,8,r|
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MassMS-IW-3904 beta-D-arabinopyranose C5H10O5 (Mass of molecular ion: 150)
Source Temperature: 140 °C Sample Temperature: 160 °C Direct, 75 eV
14.0 1.6 15.0 8.5 17.0 1.2 18.0 5.8 19.0 7.5 26.0 1.5 27.0 5.8 28.0 5.0 29.0 20.9 30.0 4.5 31.0 35.7 32.0 6.9 33.0 1.3 39.0 2.2 40.0 1.7 41.0 3.6 42.0 16.8 43.0 35.5 44.0 12.9 45.0 10.7 47.0 4.0 54.0 1.3 55.0 7.0 56.0 6.6 57.0 16.7 58.0 4.6 59.0 1.4 60.0 61.5 61.0 32.1 62.0 1.6 68.0 2.8 69.0 2.5 71.0 19.4 72.0 11.1 73.0 100.0 74.0 9.0 75.0 1.0 77.0 1.1 83.0 1.0 85.0 2.9 86.0 8.0 87.0 1.3 89.0 2.1 90.0 2.5 91.0 4.8 101.0 7.0 102.0 2.5 103.0 3.0 114.0 1.4 119.0 6.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H10 O5 0.044 g : 0.5 ml DMSO-d6 beta-D-arabinopyranose 
Assign. Shift(ppm)
A 6.03 B 4.865 C 4.52 D 4.42 E 4.42 F 3.69 G 3.68 J 3.602 K 3.479 L 3.381 ASSIGNED BY H-H COSY AND ADDITION OF D2O. J(A,B)=5.4HZ J(B,K)=3.1HZ J(C,J)=5.3HZ J(D,G)=4.2HZ J(E,K)=6.6HZ J(F,L)=-12.1HZ J(F,G)=2.3HZ J(G,J)=3.3HZ J(G,L)=5.0HZ J(J,K)=8.3HZ
Hz ppm Int.2411.74 6.035 547 2406.37 6.022 563 1948.73 4.877 276 1945.68 4.869 290 1943.36 4.863 283 1940.31 4.856 274 1807.74 4.524 629 1802.49 4.511 637 1767.21 4.422 1000 1763.18 4.412 482 1762.70 4.411 469 1760.74 4.406 685 1481.93 3.709 167 1479.61 3.703 246 1475.59 3.693 131 1469.97 3.679 497 1468.87 3.676 482 1463.26 3.662 86 1448.36 3.625 116 1444.95 3.616 106 1443.12 3.611 128 1440.06 3.604 224 1436.77 3.596 154 1434.94 3.591 162 1431.64 3.583 134 1398.68 3.500 157 1395.75 3.493 156 1392.21 3.484 171 1389.53 3.477 192 1387.70 3.473 134 1384.16 3.464 117 1381.23 3.457 114 1359.50 3.402 235 1354.61 3.390 318 1350.71 3.380 31 1347.41 3.372 300 1342.41 3.359 189
in D2O
KBr disc
nujol mull
