L-(-)-ARABITOL(7643-75-6) IR1
Product NameL-(-)-ARABITOL
CAS7643-75-6
Molecular FormulaC5H12O5
Molecular Weight152.15
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
InChIKey HEBKCHPVOIAQTA-IMJSIDKUSA-N
SmilesOC[C@@H]([C@H]([C@H](CO)O)O)O
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MassMS-NW-2285 L-arabinitol C5H12O5 (Mass of molecular ion: 152)
Source Temperature: 210 °C Sample Temperature: 150 °C Direct, 75 eV
14.0 1.3 15.0 18.9 17.0 2.4 18.0 12.6 19.0 18.4 26.0 1.4 27.0 9.7 28.0 17.5 29.0 17.6 30.0 2.9 31.0 34.5 32.0 2.0 39.0 2.1 41.0 2.4 42.0 8.6 43.0 54.3 44.0 51.8 45.0 33.5 46.0 1.9 47.0 2.0 55.0 12.8 56.0 40.9 57.0 14.9 58.0 1.3 59.0 1.2 60.0 13.6 61.0 100.0 62.0 4.4 71.0 3.0 72.0 3.2 73.0 44.1 74.0 56.1 75.0 2.9 85.0 7.0 88.0 1.0 91.0 37.4 92.0 1.4 103.0 25.6 104.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H12 O5 0.039 g : 0.5 ml DMSO-d6 L-arabinitol 
Assign. Shift(ppm)
A 4.47 B 4.45 C 4.34 D 4.22 E 4.15 F 3.672 G *1 3.594 J 3.46 K *2 3.41 L *2 3.39 M *1 3.36 N 3.32 assigned by H-H and C-H COSY
Hz ppm Int.1790.53 4.481 637 1784.79 4.466 873 1778.69 4.451 611 1773.07 4.437 343 1742.55 4.361 281 1736.94 4.347 533 1731.45 4.333 287 1689.70 4.228 524 1683.47 4.213 547 1661.87 4.159 654 1654.54 4.140 682 1476.44 3.695 145 1471.68 3.683 368 1470.34 3.680 381 1465.45 3.667 396 1464.11 3.664 390 1459.23 3.652 172 1457.76 3.648 158 1446.78 3.621 195 1443.36 3.612 267 1441.53 3.607 258 1437.87 3.598 261 1436.16 3.594 279 1432.62 3.585 322 1430.91 3.581 307 1427.37 3.572 247 1395.63 3.493 111 1389.77 3.478 236 1386.72 3.470 287 1384.16 3.464 314 1381.59 3.458 361 1378.30 3.449 293 1376.34 3.444 266 1372.56 3.435 304 1365.97 3.418 871 1361.57 3.407 715 1355.59 3.392 1000 1353.39 3.387 662 1349.49 3.377 806 1342.04 3.359 503 1339.23 3.352 299 1337.77 3.348 269 1335.08 3.341 417 1333.50 3.337 400 1326.29 3.319 517 1319.70 3.303 264 1318.24 3.299 244
in DMSO-d6
in D2O
KBr disc
nujol mull
