3,3-DIMETHYL-2-PENTANOL(19781-24-9) 13C NMR
Product Name3,3-DIMETHYL-2-PENTANOL
CAS19781-24-9
Molecular FormulaC7H16O
Molecular Weight116.2
InChIInChI=1S/C7H16O/c1-5-7(3,4)6(2)8/h6,8H,5H2,1-4H3
InChIKey FCUOIGTWJDBTHR-UHFFFAOYSA-N
SmilesCC(O)C(C)(C)CC
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MassMS-IW-3511 3,3-dimethyl-2-pentanol C7H16O (Mass of molecular ion: 116)
Source Temperature: 210 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 1.4 18.0 1.3 19.0 1.2 27.0 12.3 28.0 2.3 29.0 14.6 31.0 1.9 39.0 10.2 40.0 1.4 41.0 31.1 42.0 8.3 43.0 95.7 44.0 5.9 45.0 76.1 46.0 1.9 51.0 1.2 53.0 3.6 55.0 33.7 56.0 3.0 57.0 14.9 59.0 11.2 67.0 1.3 69.0 18.8 70.0 94.6 71.0 100.0 72.0 7.2 83.0 6.1 87.0 20.8 88.0 1.2 101.0 9.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H16 O 0.05 ml : 0.5 ml CDCl3 3,3-dimethyl-2-pentanol 
Assign. Shift(ppm)
A 3.545 B 1.83 C *1 1.344 D *1 1.259 E 1.111 F *2 0.844 G 0.844 J *2 0.808 J(C,D)=-13.7HZ
Hz ppm Int.1426.51 3.570 35 1420.17 3.554 101 1413.70 3.538 102 1407.23 3.522 38 731.20 1.830 35 550.54 1.378 46 544.43 1.363 39 542.85 1.359 53 536.87 1.344 93 535.40 1.340 33 529.17 1.325 96 521.61 1.306 42 519.78 1.301 36 512.21 1.282 91 504.64 1.263 100 498.54 1.248 52 497.31 1.245 48 490.97 1.229 49 447.27 1.120 705 440.80 1.103 677 348.02 0.871 34 344.97 0.864 376 337.52 0.845 1000 329.71 0.825 290 326.78 0.818 48 322.88 0.808 764
in CDCl3
liquid film
