1,6-Hexanediol(629-11-8) Raman
Product Name1,6-Hexanediol
CAS629-11-8
Molecular FormulaC6H14O2
Molecular Weight118.17
InChIInChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2
InChIKey XXMIOPMDWAUFGU-UHFFFAOYSA-N
SmilesC(O)CCCCCO
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MassMS-NW-1473 1,6-hexanediol C6H14O2 (Mass of molecular ion: 118)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.8 18.0 1.6 19.0 3.4 26.0 2.0 27.0 24.3 28.0 8.9 29.0 28.6 30.0 1.7 31.0 85.7 32.0 1.0 38.0 1.0 39.0 17.1 40.0 4.0 41.0 92.4 42.0 100.0 43.0 26.8 44.0 23.9 45.0 12.8 49.0 8.8 51.0 1.1 53.0 5.7 54.0 40.0 55.0 46.2 56.0 16.4 57.0 46.3 58.0 5.3 59.0 1.8 62.0 1.3 67.0 69.6 68.0 10.6 69.0 22.9 70.0 38.1 71.0 11.9 72.0 10.1 81.0 7.1 82.0 23.5 83.0 2.4 88.0 2.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H14 O2 0.038 g : 0.5 ml CDCl3 1,6-hexanediol 
Assign. Shift(ppm)
A 1.44 B 1.57 C 2.42 D 3.62
Hz ppm Int.330.69 3.693 169 328.38 3.667 101 327.56 3.658 93 327.00 3.652 91 324.44 3.623 572 318.25 3.554 254 216.56 2.419 1000 147.63 1.649 90 147.31 1.645 89 146.25 1.633 79 145.69 1.627 80 144.94 1.619 77 144.63 1.615 76 142.13 1.587 138 141.38 1.579 143 141.00 1.575 143 140.50 1.569 148 140.13 1.565 144 139.75 1.561 144 139.44 1.557 139 135.94 1.518 160 135.56 1.514 161 134.25 1.499 175 129.06 1.442 325 124.56 1.391 182 122.25 1.366 100 121.88 1.361 99 120.19 1.343 78 119.56 1.335 81 119.00 1.329 79
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
