Cyclohexanecarboxylic acid chloride(2719-27-9) 13C NMR
Product NameCyclohexanecarboxylic acid chloride
CAS2719-27-9
Molecular FormulaC7H11ClO
Molecular Weight146.61
InChIInChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
InChIKey RVOJTCZRIKWHDX-UHFFFAOYSA-N
SmilesC(Cl)(C1CCCCC1)=O
-
MassMS-NW-4877 cyclohexanecarbonyl chloride C7H11ClO (Mass of molecular ion: 146)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.6 27.0 10.7 28.0 1.6 29.0 6.3 36.0 3.0 38.0 1.1 39.0 12.3 40.0 2.8 41.0 32.7 42.0 3.6 43.0 2.8 50.0 1.2 51.0 2.1 52.0 1.1 53.0 5.6 54.0 9.7 55.0 59.0 56.0 6.8 65.0 1.0 66.0 1.1 67.0 14.6 68.0 7.8 69.0 1.5 73.0 1.0 77.0 1.1 79.0 2.2 81.0 6.0 82.0 5.0 83.0 100.0 84.0 7.2 91.0 1.5 104.0 1.8 109.0 1.0 110.0 5.5 111.0 10.4
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H11 Cl O 0.04 ml : 0.5 ml CDCl3 cyclohexanecarbonyl chloride 
Assign. Shift(ppm)
A 2.735 B 2.091 C 1.799 D 1.66 E 1.66 F 1.31 G 1.26 J(A,E)=11.0HZ. J(A,B)=3.7HZ.
Hz ppm Int.1107.91 2.773 245 1104.25 2.764 504 1100.59 2.754 264 1096.92 2.745 508 1093.26 2.736 1000 1089.72 2.727 521 1085.94 2.718 263 1082.28 2.709 510 1078.74 2.700 265 849.12 2.125 97 847.90 2.122 187 844.48 2.114 465 843.26 2.110 441 840.94 2.105 494 839.84 2.102 421 838.50 2.099 277 837.16 2.095 278 836.06 2.092 281 834.96 2.090 256 832.28 2.083 451 831.05 2.080 531 829.96 2.077 467 828.86 2.074 514 827.51 2.071 556 823.97 2.062 234 734.62 1.839 114 734.25 1.838 114 732.91 1.834 92 730.47 1.828 355 726.93 1.819 460 726.20 1.818 463 722.78 1.809 411 717.04 1.795 519 713.26 1.785 593 710.94 1.779 394 709.84 1.777 388 706.67 1.769 113 676.15 1.692 96 674.80 1.689 182 672.24 1.683 259 671.26 1.680 327 669.68 1.676 232 668.09 1.672 219 667.24 1.670 234 666.14 1.667 202 663.94 1.662 195 661.99 1.657 270 660.89 1.654 263 660.16 1.652 247 659.06 1.650 237 657.84 1.647 189 656.01 1.642 208 655.15 1.640 210 652.59 1.633 79 651.25 1.630 90 632.57 1.583 192 629.27 1.575 228 621.34 1.555 413 617.55 1.546 528 608.76 1.524 429 607.18 1.520 462 606.45 1.518 463 605.35 1.515 453 597.05 1.494 202 593.63 1.486 255 550.17 1.377 182 547.00 1.369 257 543.82 1.361 106 541.87 1.356 62 538.45 1.348 397 537.23 1.345 266 535.16 1.340 603 532.35 1.333 300 531.74 1.331 279 526.61 1.318 319 525.88 1.316 347 524.90 1.314 373 523.19 1.310 596 522.34 1.307 595 521.00 1.304 403 516.60 1.293 145 513.92 1.286 578 512.94 1.284 550 510.99 1.279 731 507.81 1.271 146 505.37 1.265 207 504.76 1.264 176 502.56 1.258 452 499.39 1.250 237 496.95 1.244 56 496.34 1.242 57 494.02 1.237 124 490.97 1.229 288 488.53 1.223 119 487.67 1.221 122 482.67 1.208 49 479.37 1.200 102 475.95 1.191 58
in CDCl3
liquid film
