1,2-Hexanediol(6920-22-5) Raman
Product Name1,2-Hexanediol
CAS6920-22-5
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1S/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H3
InChIKey FHKSXSQHXQEMOK-UHFFFAOYSA-N
SmilesC(O)C(O)CCCC
-
MassMS-NW-9683 1,2-hexanediol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.1 18.0 1.0 27.0 6.4 28.0 1.6 29.0 8.9 31.0 8.7 39.0 4.0 41.0 48.3 42.0 3.8 43.0 22.7 44.0 5.7 45.0 11.6 53.0 1.0 55.0 6.7 56.0 3.0 57.0 11.2 58.0 2.1 59.0 1.3 60.0 1.6 61.0 17.8 67.0 3.3 69.0 100.0 70.0 6.4 71.0 1.2 73.0 1.0 82.0 1.0 83.0 2.3 86.0 4.4 87.0 42.3 88.0 2.4 101.0 1.1
400 MHz in CDCl3
-
1H NMR 399.65 MHz C6 H14 O2 0.05 ml : 0.5 ml CDCl3 1,2-hexanediol 
Assign. Shift(ppm)
A *1 4.43 B *1 4.29 C 3.65 D *2 3.592 E *2 3.396 F 1.40 G 1.31 J 0.904
Hz ppm Int.1769.17 4.427 109 1715.70 4.294 121 1450.20 3.629 78 1442.87 3.611 174 1431.52 3.582 213 1429.44 3.577 199 1366.09 3.419 209 1358.03 3.399 199 1354.74 3.390 185 1346.80 3.370 141 574.83 1.439 102 573.85 1.436 100 569.09 1.424 301 562.87 1.409 585 557.01 1.394 499 551.15 1.380 206 543.21 1.360 174 537.84 1.346 244 532.47 1.333 336 528.32 1.322 335 525.39 1.315 350 524.54 1.313 361 521.12 1.304 245 519.41 1.300 270 516.11 1.292 185 507.20 1.270 55 368.53 0.923 543 364.99 0.914 313 361.69 0.906 1000 354.37 0.887 541
in CDCl3
liquid film
4880 A,200 M,liquid
