1,2-NONANEDIOL(42789-13-9) IR2
Product Name1,2-NONANEDIOL
CAS42789-13-9
Molecular FormulaC9H20O2
Molecular Weight160.25
InChIInChI=1S/C9H20O2/c1-2-3-4-5-6-7-9(11)8-10/h9-11H,2-8H2,1H3
InChIKey LJZULWUXNKDPCG-UHFFFAOYSA-N
SmilesC(O)C(O)CCCCCCC
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MassMS-KW-0582 1,2-nonanediol C9H20O2 (Mass of molecular ion: 160)
Source Temperature: 220 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.4 18.0 7.3 27.0 5.9 28.0 1.9 29.0 10.4 31.0 4.2 32.0 1.1 39.0 4.4 41.0 24.3 42.0 4.9 43.0 29.7 44.0 7.5 45.0 2.7 53.0 1.5 54.0 3.4 55.0 42.4 56.0 9.5 57.0 20.8 58.0 4.9 59.0 1.4 60.0 1.2 61.0 9.3 67.0 5.5 68.0 4.9 69.0 100.0 70.0 9.5 71.0 3.2 72.0 1.0 81.0 4.3 82.0 4.9 83.0 7.7 84.0 1.9 85.0 1.5 95.0 3.1 96.0 2.2 98.0 3.4 110.0 1.3 111.0 26.1 112.0 2.4 124.0 1.2 128.0 1.5 129.0 25.9 130.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C9H20O2 0.038 g : 0.5 ml CDCl3 1,2-nonanediol 
Assign. Shift(ppm)
A 3.731 B 3.65 C *1 3.64 D *1 3.403 E 1.402 F 1.29 G 0.881
Hz ppm Int.1491.34 3.731 119 1460.33 3.653 242 1438.12 3.598 90 1367.07 3.420 66 1359.38 3.401 90 1352.06 3.382 44 563.85 1.411 261 559.82 1.401 205 552.74 1.383 114 541.14 1.354 53 515.26 1.289 643 510.75 1.278 713 358.77 0.898 311 352.06 0.881 1000 344.98 0.863 347
in CDCl3
KBr disk
Nujol
