2,3-DIMETHYL-1-PENTANOL(10143-23-4) IR1
Product Name2,3-DIMETHYL-1-PENTANOL
CAS10143-23-4
Molecular FormulaC7H16O
Molecular Weight116.2
InChIInChI=1S/C7H16O/c1-4-6(2)7(3)5-8/h6-8H,4-5H2,1-3H3
InChIKey MIBBFRQOCRYDDB-UHFFFAOYSA-N
SmilesC(O)C(C)C(C)CC
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MassMS-IW-3508 2,3-dimethyl-1-pentanol C7H16O (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
18.0 1.8 26.0 1.2 27.0 20.8 28.0 6.2 29.0 39.6 30.0 1.7 31.0 24.9 39.0 18.5 40.0 3.3 41.0 78.6 42.0 35.1 43.0 100.0 44.0 6.7 45.0 39.2 50.0 1.0 51.0 1.9 53.0 5.7 54.0 1.9 55.0 36.7 56.0 94.3 57.0 81.5 58.0 7.5 59.0 12.6 60.0 1.8 67.0 2.1 68.0 2.8 69.0 69.3 70.0 23.6 71.0 3.7 73.0 2.3 74.0 2.1 83.0 42.1 84.0 12.9 85.0 82.4 86.0 5.7 87.0 2.1 97.0 1.2 98.0 15.3 99.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H16 O 0.05 ml : 0.5 ml CDCl3 2,3-dimethyl-1-pentanol 
Assign. Shift(ppm)
A 3.593 B 3.515 C 3.404 D 3.386 E 3.11 F 1.669 G 1.577 J 1.500 K 1.40 L 1.346 M 1.20 N 1.091 P 0.889 M 0.886 R 0.881 S 0.872 T 0.795 U 0.772 ASSIGNED BY H-H COSY TENTATIVE ASSIGNMENT FOR OPTICAL ISOMERS
Hz ppm Int.1444.82 3.616 88 1439.33 3.602 91 1434.33 3.589 113 1428.83 3.576 113 1414.67 3.540 103 1408.20 3.524 108 1404.17 3.514 159 1397.58 3.498 158 1368.65 3.425 153 1362.67 3.410 138 1361.57 3.407 181 1358.15 3.399 114 1355.22 3.392 127 1352.17 3.384 111 1351.07 3.381 128 1344.73 3.365 97 1243.90 3.113 284 368.77 0.923 32 361.82 0.906 475 359.01 0.899 820 354.37 0.887 818 352.05 0.881 1000 346.80 0.868 412 345.21 0.864 527 321.29 0.804 744 314.45 0.787 746 312.13 0.782 737 305.30 0.764 688 295.53 0.740 31
in CDCl3
liquid film
