2-PROPYLCYCLOHEXANONE(94-65-5) 1H NMR
Product Name2-PROPYLCYCLOHEXANONE
CAS94-65-5
Molecular FormulaC9H16O
Molecular Weight140.22
InChIInChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h8H,2-7H2,1H3
InChIKey OCJLPZCBZSCVCO-UHFFFAOYSA-N
SmilesC1(=O)CCCCC1CCC
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MassMS-IW-3592 2-propylcyclohexanone C9H16O (Mass of molecular ion: 140)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 7.8 28.0 2.0 29.0 5.9 39.0 8.3 40.0 1.7 41.0 22.7 42.0 11.5 43.0 8.7 53.0 2.8 54.0 6.6 55.0 26.1 56.0 11.0 57.0 2.4 67.0 5.1 68.0 2.0 69.0 11.2 70.0 20.2 71.0 1.6 79.0 1.4 81.0 4.8 83.0 18.2 84.0 4.2 93.0 1.2 96.0 2.4 97.0 14.6 98.0 100.0 99.0 7.7 111.0 7.2 140.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H16 O 0.05 ml : 0.5 ml CDCl3 2-propylcyclohexanone 
Assign. Shift(ppm)
A 2.38 B 2.32 C 2.27 D 2.10 E 2.02 F 1.86 G *1 1.76 J 1.68 K 1.63 L 1.39 M 1.30 N *1 1.185 P 0.898 ASSIGNED BY CH-COSY
Hz ppm Int.961.06 2.405 63 959.72 2.402 58 956.67 2.394 59 955.32 2.391 78 952.03 2.383 71 950.68 2.379 72 947.75 2.372 175 946.29 2.368 128 943.12 2.360 105 942.02 2.358 97 932.98 2.335 58 928.47 2.324 73 927.25 2.321 80 923.58 2.311 104 922.49 2.309 113 921.02 2.305 81 916.99 2.295 136 915.28 2.291 94 913.57 2.286 88 912.23 2.283 114 906.86 2.270 83 905.88 2.267 90 850.34 2.128 56 848.51 2.124 55 840.58 2.104 58 837.28 2.096 54 835.21 2.090 68 813.84 2.037 57 813.11 2.035 59 809.45 2.026 65 808.11 2.023 78 807.13 2.020 67 805.42 2.016 55 803.71 2.012 55 802.98 2.010 55 745.12 1.865 78 743.65 1.861 59 740.72 1.854 77 739.26 1.850 56 735.35 1.840 67 715.45 1.791 76 708.74 1.774 65 706.05 1.767 88 701.78 1.756 73 699.95 1.752 88 694.95 1.739 61 693.24 1.735 88 686.52 1.718 95 681.64 1.706 77 680.42 1.703 70 678.83 1.699 76 677.98 1.697 68 676.76 1.694 83 675.54 1.691 94 674.80 1.689 82 672.61 1.683 113 671.63 1.681 113 670.17 1.677 133 668.95 1.674 148 666.38 1.668 105 664.31 1.663 63 662.48 1.658 61 660.77 1.654 66 658.94 1.649 98 657.10 1.645 62 655.52 1.641 74 652.83 1.634 74 649.54 1.626 58 562.99 1.409 69 561.16 1.405 55 559.33 1.400 61 549.80 1.376 68 546.02 1.367 57 532.96 1.334 73 529.79 1.326 84 526.49 1.318 91 525.39 1.315 96 524.66 1.313 99 522.58 1.308 131 520.63 1.303 95 519.04 1.299 95 517.09 1.294 135 515.26 1.290 115 514.28 1.287 117 513.55 1.285 104 509.89 1.276 106 507.32 1.270 108 500.37 1.253 58 488.04 1.222 75 481.45 1.205 87 474.85 1.189 84 473.39 1.185 75 468.51 1.173 93 466.06 1.167 75 459.35 1.150 68 365.84 0.916 584 358.52 0.898 1000 351.32 0.880 498
in CDCl3
liquid film
