1-ETHYL-3-PYRROLIDINOL(30727-14-1) MS
Product Name1-ETHYL-3-PYRROLIDINOL
CAS30727-14-1
Molecular FormulaC6H13NO
Molecular Weight115.17
InChIInChI=1S/C6H13NO/c1-2-7-4-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey IDBNECMSCRAUNU-UHFFFAOYSA-N
SmilesN1(CC)CCC(O)C1
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MassMS-NW-3437 1-ethyl-3-pyrrolidinol C6H13NO (Mass of molecular ion: 115)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.6 15.0 11.8 17.0 1.4 18.0 4.5 26.0 8.1 27.0 37.0 28.0 34.4 29.0 23.1 30.0 23.5 31.0 6.4 37.0 1.8 38.0 3.9 39.0 16.6 40.0 6.1 41.0 26.3 42.0 85.4 43.0 100.0 44.0 27.8 45.0 1.4 50.0 2.5 51.0 4.4 52.0 2.9 53.0 4.8 54.0 6.3 55.0 7.3 56.0 17.7 57.0 9.0 58.0 22.5 59.0 1.6 63.0 1.5 65.0 4.5 66.0 1.5 67.0 4.8 68.0 12.7 69.0 2.4 70.0 7.5 71.0 55.4 72.0 6.8 77.0 1.8 78.0 1.3 79.0 1.5 80.0 9.8 81.0 1.5 82.0 18.4 83.0 1.4 84.0 1.9 85.0 1.9 86.0 2.3 89.0 1.0 91.0 29.8 92.0 2.9 93.0 1.0 94.0 1.9 95.0 6.1 96.0 11.0 97.0 6.2 98.0 2.3 100.0 76.0 101.0 4.5 114.0 9.8 115.0 23.2 116.0 1.7 120.0 3.9 134.0 1.9 135.0 1.1 148.0 3.5 157.0 2.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H13 N O 0.05 ml : 0.5 ml CDCl3 1-ethyl-3-pyrrolidinol 
Assign. Shift(ppm)
A 4.9 B 4.332 C *1 2.789 D 2.631 E 2.577 F 2.488 G *1 2.365 J *2 2.174 K *2 1.714 L 1.109 J(D,E)=10.2HZ. J(D,B)=5.9HZ. J(E,B)=3.1HZ.
Hz ppm Int.1740.97 4.357 53 1737.92 4.349 98 1734.99 4.342 98 1733.28 4.337 80 1732.18 4.335 109 1730.22 4.330 110 1729.13 4.327 79 1727.42 4.323 94 1724.49 4.316 90 1721.31 4.308 46 1126.22 2.819 67 1120.61 2.804 79 1117.43 2.797 105 1111.69 2.782 110 1109.01 2.775 83 1103.27 2.761 74 1061.28 2.656 113 1055.42 2.641 112 1051.03 2.630 230 1045.29 2.616 229 1034.79 2.590 182 1031.62 2.582 180 1024.54 2.564 90 1021.48 2.556 85 1005.86 2.517 122 1005.00 2.515 122 998.54 2.499 343 997.80 2.497 333 991.21 2.481 350 990.60 2.479 350 987.06 2.470 38 983.40 2.461 138 957.15 2.395 77 950.68 2.379 95 948.73 2.374 121 942.26 2.358 122 939.58 2.352 95 933.23 2.336 86 886.23 2.218 51 880.62 2.204 57 878.30 2.198 74 872.80 2.184 121 870.36 2.178 55 867.07 2.170 69 864.75 2.164 114 859.25 2.151 79 856.81 2.144 52 851.20 2.130 42 699.34 1.750 45 696.53 1.743 47 692.87 1.734 54 691.04 1.730 63 688.60 1.724 57 685.55 1.716 68 682.50 1.708 67 679.32 1.700 48 677.00 1.694 53 675.05 1.690 43 671.51 1.681 35 668.58 1.673 32 454.96 1.139 65 452.76 1.133 138 450.20 1.127 569 447.75 1.121 87 442.99 1.109 1000 438.48 1.098 59 435.67 1.091 500
in CDCl3
liquid film
