1,10-Decanediol(112-47-0) IR2
Product Name1,10-Decanediol
CAS112-47-0
Molecular FormulaC10H22O2
Molecular Weight174.28
InChIInChI=1S/C10H22O2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKey FOTKYAAJKYLFFN-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCCO
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MassMS-NW-0343 1,10-decanediol C10H22O2 (Mass of molecular ion: 174)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
19.0 1.1 27.0 13.7 28.0 4.4 29.0 22.4 31.0 37.0 39.0 11.3 40.0 2.7 41.0 73.7 42.0 22.2 43.0 33.2 44.0 7.2 45.0 5.7 53.0 5.7 54.0 45.8 55.0 100.0 56.0 29.3 57.0 16.7 58.0 2.5 66.0 9.5 67.0 67.9 68.0 88.7 69.0 50.4 70.0 19.3 71.0 13.6 72.0 2.6 73.0 3.9 79.0 2.1 80.0 2.1 81.0 49.1 82.0 79.8 83.0 27.8 84.0 10.1 85.0 8.9 86.0 2.0 87.0 1.1 94.0 1.6 95.0 36.6 96.0 38.6 97.0 15.9 98.0 7.4 99.0 4.6 100.0 1.0 109.0 15.5 110.0 19.7 111.0 2.4 112.0 1.1 113.0 2.4 123.0 1.1 126.0 5.2 138.0 1.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H22 O2 0.039 g : 0.5 ml CDCl3 1,10-decanediol 
Assign. Shift(ppm)
A 3.63 B 1.57 C 1.47 D 1.31
Hz ppm Int.331.69 3.704 174 329.06 3.675 62 325.38 3.634 497 322.00 3.596 39 319.13 3.564 250 151.75 1.695 24 150.81 1.684 27 149.69 1.672 35 149.06 1.665 38 146.38 1.635 74 145.63 1.627 75 145.00 1.620 70 144.44 1.613 72 139.69 1.560 126 136.38 1.523 101 131.25 1.466 582 127.00 1.419 158 125.25 1.399 167 124.44 1.390 173 117.13 1.308 1000
in CDCl3
KBr disc
nujol mull
