N-Cyclohexyl-2-pyrrolidone(6837-24-7) 1H NMR
Product NameN-Cyclohexyl-2-pyrrolidone
CAS6837-24-7
Molecular FormulaC10H17NO
Molecular Weight167.25
InChIInChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2
InChIKey PZYDAVFRVJXFHS-UHFFFAOYSA-N
SmilesN1(C2CCCCC2)CCCC1=O
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MassMS-NW-7074 1-cyclohexyl-2-pyrrolidone C10H17NO (Mass of molecular ion: 167)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.3 27.0 6.1 28.0 8.0 29.0 4.3 30.0 2.9 39.0 7.1 40.0 1.6 41.0 22.0 42.0 4.9 43.0 2.7 44.0 1.6 53.0 2.8 54.0 5.2 55.0 10.3 56.0 14.5 57.0 1.0 67.0 6.8 68.0 4.0 69.0 8.3 70.0 4.6 79.0 1.8 80.0 1.0 81.0 4.6 82.0 5.6 83.0 5.1 84.0 3.8 85.0 1.2 86.0 100.0 87.0 5.1 96.0 7.0 97.0 2.7 98.0 7.3 99.0 2.8 110.0 1.9 111.0 3.5 112.0 3.4 124.0 60.2 125.0 6.5 126.0 1.9 138.0 6.1 139.0 1.5 167.0 26.1 168.0 3.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H17 N O 0.05 ml : 0.5 ml CDCl3 1-cyclohexyl-2-pyrrolidone 
Assign. Shift(ppm)
A 3.935 B 3.352 C 2.376 D 1.997 E *1 1.79 F *1 1.68 G 1.34 J *1 1.11 ASSIGNED BY H-H COSY
Hz ppm Int.1588.62 3.976 44 1584.84 3.966 76 1580.93 3.956 77 1576.90 3.946 117 1575.32 3.942 104 1573.12 3.937 147 1569.34 3.927 111 1565.55 3.918 83 1561.65 3.908 75 1557.86 3.899 36 1346.92 3.371 661 1343.38 3.362 119 1339.97 3.353 933 1336.67 3.345 107 1335.45 3.342 83 1332.89 3.336 678 958.25 2.398 593 953.98 2.388 93 950.44 2.379 1000 945.80 2.367 88 942.02 2.358 739 811.52 2.031 199 808.11 2.023 60 804.32 2.013 452 803.22 2.010 363 800.90 2.005 106 796.63 1.994 522 792.72 1.984 99 789.06 1.975 418 784.79 1.964 46 781.25 1.955 152 722.78 1.809 189 721.56 1.806 192 718.75 1.799 273 716.55 1.793 248 713.38 1.786 306 711.30 1.780 282 701.90 1.757 47 699.71 1.751 54 693.97 1.737 35 692.87 1.734 34 692.14 1.732 35 690.92 1.729 36 690.55 1.728 35 690.06 1.727 35 689.58 1.726 35 689.09 1.725 34 677.86 1.697 339 674.32 1.688 413 672.36 1.683 450 667.72 1.671 225 575.20 1.440 45 569.58 1.426 76 561.16 1.405 201 558.72 1.399 375 554.44 1.388 257 553.34 1.385 238 549.44 1.375 728 546.51 1.368 513 540.65 1.353 284 537.96 1.347 411 527.71 1.321 75 525.02 1.314 86 459.47 1.150 55 455.69 1.141 56 455.20 1.139 55 454.22 1.137 51 453.00 1.134 49 450.32 1.127 78 446.29 1.117 108 442.75 1.108 99 440.80 1.103 82 437.13 1.094 85 433.59 1.085 99 429.93 1.076 72 426.64 1.068 35 424.56 1.063 36 422.73 1.058 30 421.02 1.054 34
in CDCl3
liquid film
4880 A,200 M,liquid
