Dicyclohexylamine(101-83-7) MS
Product NameDicyclohexylamine
CAS101-83-7
Molecular FormulaC12H23N
Molecular Weight181.32
InChIInChI=1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKey XBPCUCUWBYBCDP-UHFFFAOYSA-N
SmilesC1(NC2CCCCC2)CCCCC1
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MassMS-NW-5522 dicyclohexylamine C12H23N (Mass of molecular ion: 181)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 2.8 28.0 4.1 29.0 3.9 30.0 4.4 39.0 3.5 41.0 12.6 42.0 1.8 43.0 3.5 44.0 9.1 53.0 2.0 54.0 2.7 55.0 12.5 56.0 39.2 57.0 1.9 67.0 2.6 68.0 1.9 69.0 1.4 70.0 2.7 79.0 1.1 81.0 3.1 82.0 7.7 83.0 5.0 96.0 1.9 98.0 4.9 100.0 5.5 110.0 2.7 124.0 1.5 125.0 1.6 138.0 100.0 139.0 10.9 152.0 3.2 180.0 1.1 181.0 13.9 182.0 1.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C12 H23 N 0.05 ml : 0.5 ml CDCl3 dicyclohexylamine 
Assign. Shift(ppm)
A 2.546 B 1.856 C 1.712 D 1.606 E 1.246 F 1.146 G 1.021 J 0.7
Hz ppm Int.1040.65 2.604 30 1040.04 2.603 30 1038.94 2.600 31 1032.10 2.583 213 1028.44 2.574 386 1024.66 2.564 257 1021.61 2.557 423 1017.82 2.547 747 1014.04 2.538 437 1011.11 2.530 266 1007.32 2.521 414 1003.54 2.512 230 749.15 1.875 758 746.70 1.869 791 741.70 1.856 521 736.57 1.844 811 735.23 1.840 796 733.89 1.837 819 717.16 1.795 46 715.45 1.791 44 715.09 1.790 43 714.72 1.789 43 694.58 1.738 592 691.16 1.730 803 687.62 1.721 646 681.40 1.705 718 677.98 1.697 928 675.54 1.691 706 662.11 1.657 72 660.64 1.654 68 659.18 1.650 64 658.81 1.649 64 651.12 1.630 353 649.41 1.625 400 648.07 1.622 467 646.48 1.618 374 644.65 1.614 347 639.16 1.600 372 635.74 1.591 471 632.20 1.582 341 628.78 1.574 133 534.55 1.338 31 533.81 1.336 31 530.03 1.327 41 522.09 1.307 217 518.80 1.299 310 515.38 1.290 191 509.77 1.276 527 506.47 1.268 816 503.42 1.260 473 496.83 1.244 649 493.77 1.236 1000 490.97 1.229 614 484.25 1.212 382 481.20 1.205 595 479.00 1.199 387 474.98 1.189 299 472.53 1.183 490 469.60 1.176 306 463.75 1.161 362 460.69 1.153 681 457.28 1.145 372 451.78 1.131 245 448.49 1.123 499 445.07 1.114 262 439.70 1.101 131 436.16 1.092 194 432.62 1.083 138 426.03 1.067 433 422.97 1.059 423 413.33 1.035 865 411.13 1.029 819 402.71 1.008 736 400.15 1.002 790 390.75 0.978 288 387.57 0.970 306 379.15 0.949 33 377.93 0.946 32 294.56 0.738 47
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
