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5-METHYL-2-HEPTANOL(54630-50-1) 13C NMR
Product Name5-METHYL-2-HEPTANOL
CAS54630-50-1
Molecular FormulaC8H18O
Molecular Weight130.23
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MassMS-IW-9046 5-methyl-2-heptanol C8H18O (Mass of molecular ion: 130)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.3 27.0 9.5 28.0 1.9 29.0 16.9 31.0 1.7 39.0 7.8 40.0 1.2 41.0 32.5 42.0 5.4 43.0 18.4 44.0 6.2 45.0 100.0 46.0 2.3 53.0 2.5 54.0 1.6 55.0 52.0 56.0 31.6 57.0 31.3 58.0 2.4 59.0 2.0 67.0 1.7 69.0 12.7 70.0 33.0 71.0 6.9 83.0 17.0 84.0 12.5 85.0 7.0 86.0 1.8 97.0 10.1 112.0 10.0 113.0 1.2 115.0 3.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H18 O 0.05 ml : 0.5 ml CDCl3 5-methyl-2-heptanol 
Assign. Shift(ppm)
A 3.755 B 2.12 C *1 1.50 D *2 1.40 E *3 1.35 F *1 1.32 G *2 1.26 J 1.183 K *3 1.15 L 0.87 ASSIGNED BY C-H COSY
Hz ppm Int.1509.89 3.779 49 1508.18 3.774 47 1503.66 3.763 84 1503.05 3.761 84 1502.08 3.759 84 1497.56 3.748 88 1495.85 3.743 85 1491.46 3.732 56 1489.75 3.728 46 846.92 2.120 148 578.98 1.449 128 574.58 1.438 185 574.22 1.437 184 573.00 1.434 262 570.31 1.428 157 569.34 1.425 166 568.48 1.423 141 539.18 1.350 145 537.96 1.347 123 536.50 1.343 126 535.28 1.340 132 534.06 1.337 145 532.84 1.334 125 531.86 1.331 133 529.30 1.325 128 527.47 1.320 134 526.73 1.318 138 522.58 1.308 119 521.85 1.306 122 476.32 1.192 1000 475.34 1.190 969 472.90 1.184 140 470.09 1.177 972 469.12 1.174 925 466.06 1.167 131 458.74 1.148 120 353.52 0.885 479 349.98 0.876 713 348.27 0.872 644 346.68 0.868 933 345.95 0.866 867 343.38 0.860 695 341.67 0.855 524 339.23 0.849 448 338.87 0.848 447
in CDCl3
liquid film
