1,9-Nonanediol(3937-56-2) IR2
Product Name1,9-Nonanediol
CAS3937-56-2
Molecular FormulaC9H20O2
Molecular Weight160.25
InChIInChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2
InChIKey ALVZNPYWJMLXKV-UHFFFAOYSA-N
SmilesC(O)CCCCCCCCO
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MassMS-NW-6724 1,9-nonanediol C9H20O2 (Mass of molecular ion: 160)
Source Temperature: 150 °C Sample Temperature: 80 °C Direct, 75 eV
15.0 2.5 18.0 1.2 19.0 2.5 26.0 1.7 27.0 30.3 28.0 9.2 29.0 35.7 30.0 1.3 31.0 78.0 32.0 1.0 39.0 25.5 40.0 5.6 41.0 100.0 42.0 31.8 43.0 33.5 44.0 9.6 45.0 8.7 51.0 1.6 53.0 9.5 54.0 41.0 55.0 85.1 56.0 24.7 57.0 20.8 58.0 3.0 59.0 1.8 65.0 1.3 66.0 6.4 67.0 60.5 68.0 59.7 69.0 32.5 70.0 12.4 71.0 8.2 72.0 2.1 73.0 3.3 79.0 2.6 80.0 1.5 81.0 40.3 82.0 53.3 83.0 16.8 84.0 7.5 85.0 7.6 86.0 1.5 94.0 1.2 95.0 23.2 96.0 28.4 97.0 3.7 98.0 1.1 99.0 4.0 109.0 2.2 112.0 3.7 124.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H20 O2 0.039 g : 0.5 ml CDCl3 1,9-nonanediol 
Assign. Shift(ppm)
A 3.608 B 2.04 C 1.55 D 1.32
Hz ppm Int.330.06 3.686 195 323.81 3.616 582 317.50 3.546 297 182.38 2.037 975 151.19 1.689 25 150.69 1.683 26 145.63 1.627 86 144.13 1.610 80 138.88 1.551 147 136.00 1.519 118 132.00 1.474 158 118.06 1.319 1000 108.56 1.213 39 106.13 1.186 26
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
