1-Methyl-2-pyrrolidineethanol(67004-64-2) 13C NMR
Product Name1-Methyl-2-pyrrolidineethanol
CAS67004-64-2
Molecular FormulaC7H15NO
Molecular Weight129.2
InChIInChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
InChIKey FYVMBPXFPFAECB-UHFFFAOYSA-N
SmilesN1(C)CCCC1CCO
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MassMS-NW-5452 1-methyl-2-pyrrolidineethanol C7H15NO (Mass of molecular ion: 129)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 2.5 18.0 1.3 27.0 3.2 28.0 2.8 29.0 1.6 30.0 1.9 31.0 2.0 39.0 2.9 41.0 5.4 42.0 20.7 43.0 2.3 44.0 6.3 53.0 1.1 54.0 1.4 55.0 3.3 56.0 2.5 57.0 2.6 58.0 1.1 67.0 1.4 68.0 1.5 69.0 1.8 70.0 5.6 82.0 6.5 83.0 2.0 84.0 100.0 85.0 6.1 96.0 1.2 98.0 1.6 110.0 1.3 129.0 1.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H15 N O 0.05 ml : 0.5 ml CDCl3 1-methyl-2-pyrrolidineethanol 
Assign. Shift(ppm)
A 5.6 B *1 3.900 C *1 3.647 D *2 3.051 E 2.477 F 2.348 G *2 2.154 J *3 1.93 K *4 1.85 L 1.76 M *3 1.70 N *4 1.62 ASSIGNED BY COSY.
Hz ppm Int.1571.17 3.932 53 1567.02 3.921 56 1562.01 3.909 60 1560.30 3.905 73 1557.86 3.899 62 1556.15 3.894 73 1551.15 3.882 66 1547.00 3.871 65 1467.53 3.673 54 1462.52 3.660 103 1457.03 3.646 80 1451.66 3.633 85 1446.66 3.620 45 1229.13 3.076 42 1226.81 3.070 48 1222.17 3.059 46 1219.85 3.053 85 1217.77 3.048 56 1212.89 3.035 48 1210.57 3.030 49 993.29 2.486 48 991.33 2.481 43 987.30 2.471 45 985.60 2.467 47 984.25 2.463 44 938.60 2.349 1000 874.88 2.190 52 867.31 2.171 75 865.48 2.166 109 857.91 2.147 122 855.96 2.142 75 848.51 2.124 71 781.37 1.956 31 780.27 1.953 47 777.10 1.945 33 773.32 1.935 57 771.48 1.931 51 768.55 1.924 34 767.46 1.921 40 764.65 1.914 39 762.08 1.907 53 759.28 1.900 31 756.35 1.893 35 752.93 1.884 47 751.10 1.880 47 747.31 1.870 35 745.24 1.865 36 742.07 1.857 74 736.21 1.843 76 733.03 1.835 51 731.08 1.830 63 727.66 1.821 62 724.24 1.813 38 721.68 1.806 75 718.99 1.800 58 715.21 1.790 33 714.60 1.789 34 711.79 1.782 71 708.98 1.775 58 706.54 1.768 55 705.32 1.765 42 704.10 1.762 63 701.90 1.757 79 698.85 1.749 68 697.51 1.746 52 696.17 1.742 65 695.19 1.740 82 691.16 1.730 60 688.35 1.723 79 686.40 1.718 41 684.57 1.713 52 680.91 1.704 76 675.90 1.692 37 674.56 1.688 36 673.22 1.685 43 670.53 1.678 42 668.58 1.673 32 658.20 1.647 51 653.81 1.636 67 649.90 1.627 64 645.63 1.616 42 644.04 1.612 37 639.53 1.601 50 635.62 1.591 48
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1H NMR 89.56 MHz C7 H15 N O 0.04 ml : 0.5 ml CDCl3 1-methyl-2-pyrrolidineethanol Assign. Shift(ppm)
A 5.2 B *1 3.939 C *1 3.670 D *2 3.05 E 2.53 F 2.352 G *2 2.17 to 1.72 J *2 1.58
Hz ppm Int.355.44 3.969 34 351.44 3.925 38 346.06 3.865 37 342.19 3.821 40 332.38 3.712 60 327.88 3.662 35 210.75 2.354 1000 208.31 2.326 42 190.31 2.125 45 189.31 2.114 33 181.31 2.025 34 176.31 1.969 30 175.00 1.954 48 169.94 1.898 85 168.50 1.882 35 166.75 1.862 36 164.69 1.839 112 162.75 1.818 85 160.63 1.794 134 158.44 1.770 85 155.63 1.738 102 153.25 1.712 40 151.94 1.697 40 150.63 1.682 49 146.75 1.639 50 142.50 1.592 50
in CDCl3
liquid film
