产品名称:氧基乙酰氯
CAS:15356-62-4
分子式:C12H21ClO2
分子量: 232.75
InChI:InChI=1S/C12H21ClO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey: VNMCKLVHDJADEB-OUAUKWLOSA-N
Smiles:C(Cl)(CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=O
MS
1HNMR
13CNMR
IR1
IR2
Mass
MS-NW-1474 (-)-menthoxyacetyl chloride C12H21ClO2 (Mass of molecular ion: 232)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.2 17.0 1.0 18.0 4.9 27.0 23.1 28.0 17.6 29.0 21.6 30.0 4.9 31.0 2.7 32.0 1.1 35.0 1.7 36.0 12.6 38.0 4.0 39.0 23.4 40.0 4.3 41.0 74.5 42.0 8.1 43.0 37.7 44.0 6.8 45.0 2.0 49.0 5.7 51.0 3.5 52.0 2.1 53.0 16.7 54.0 12.4 55.0 93.9 56.0 21.9 57.0 38.0 58.0 2.0 63.0 1.0 65.0 4.1 66.0 2.0 67.0 45.6 68.0 19.5 69.0 56.3 70.0 9.8 71.0 7.5 75.0 3.6 77.0 6.7 78.0 1.4 79.0 9.9 80.0 9.6 81.0 100.0 82.0 40.6 83.0 93.0 84.0 7.6 85.0 5.4 89.0 20.0 90.0 1.3 91.0 8.1 93.0 5.4 94.0 7.2 95.0 87.3 96.0 25.3 97.0 15.8 98.0 2.2 99.0 1.1 103.0 1.8 105.0 1.7 107.0 1.3 109.0 11.2 110.0 5.1 111.0 2.7 112.0 2.4 117.0 1.3 119.0 5.2 121.0 2.4 123.0 37.0 124.0 3.7 129.0 2.1 137.0 2.7 138.0 31.2 139.0 45.4 140.0 5.0 147.0 15.1 148.0 1.1 149.0 4.9 161.0 1.2 169.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
Assign. Shift(ppm) A *1 4.470 B *1 4.444 C 3.233 D 2.257 E 2.040 F 1.65 G 1.35 J 1.27 K 1.01 to 0.82 L 0.929 M *2 0.907 N *2 0.791 J(A,B)=-18.5HZ. J(C,E)=4.3HZ. J(D,J)=2.6HZ. ASSIGNED BY H-H COSY. 90MHZ : HSP-03-394
Hz ppm Int.
1801.88 4.509 126 1783.33 4.463 803 1781.13 4.457 55 1778.56 4.451 799 1760.13 4.405 122 1304.44 3.264 79 1300.17 3.254 79 1293.82 3.238 134 1289.55 3.227 127 1283.20 3.211 83 1278.93 3.201 78 911.13 2.280 58 908.57 2.274 59 904.05 2.263 79 901.49 2.256 78 897.09 2.245 62 894.53 2.239 61 887.45 2.221 30 825.68 2.067 45 823.73 2.062 51 821.41 2.056 69 819.58 2.051 67 818.12 2.048 55 816.28 2.043 49 813.60 2.036 50 811.65 2.031 54 809.45 2.026 69 807.62 2.021 65 806.03 2.017 47 804.08 2.012 41 674.19 1.687 31 671.51 1.681 62 668.58 1.673 103 664.92 1.664 132 661.25 1.655 122 658.81 1.649 87 657.59 1.646 92 654.42 1.638 135 651.37 1.630 128 648.19 1.622 94 645.26 1.615 40 551.27 1.380 31 547.85 1.371 37 546.14 1.367 42 544.68 1.363 35 542.72 1.358 53 539.43 1.350 57 536.13 1.342 57 534.18 1.337 42 532.84 1.334 43 530.76 1.329 46 527.59 1.321 46 524.17 1.312 43 522.09 1.307 52 519.04 1.299 63 516.24 1.292 49 511.84 1.281 47 509.77 1.276 70 509.28 1.275 69 508.67 1.273 69 507.20 1.270 71 506.35 1.267 76 503.91 1.261 49 499.63 1.251 48 496.34 1.242 57 493.65 1.236 40 412.35 1.032 33 408.33 1.022 44 399.78 1.001 54 398.32 0.997 92 395.26 0.990 80 391.48 0.980 39 389.77 0.976 47 385.86 0.966 125 382.69 0.958 134 381.23 0.954 161 374.88 0.939 906 368.29 0.922 947 366.09 0.917 1000 362.43 0.907 195 359.01 0.899 982 352.54 0.883 47 350.83 0.878 48 346.31 0.867 142 344.48 0.862 91 343.63 0.860 92 337.65 0.845 30 335.21 0.839 80 333.74 0.836 71 331.91 0.831 70 329.71 0.825 56 326.90 0.818 35 319.82 0.801 977 312.99 0.784 972 306.76 0.768 32
Assign. Shift(ppm) A *1 4.450 B *1 4.447 C 3.22 D 2.24 E 2.00 F 1.65 G 1.47 to 0.69 J 0.937 K *2 0.912 L *2 0.795 400MHZ : HSP-41-836
398.44 4.449 1000 291.31 3.253 43 287.25 3.208 37 281.50 3.144 33 203.19 2.269 34 201.13 2.246 34 196.44 2.194 30 194.25 2.169 32 193.88 2.165 32 189.94 2.121 36 189.06 2.111 39 187.81 2.098 32 187.06 2.089 35 178.94 1.998 31 178.56 1.994 33 178.19 1.990 30 176.56 1.972 34 153.44 1.714 60 151.94 1.697 67 150.06 1.676 32 149.44 1.669 33 148.88 1.663 32 143.94 1.608 96 125.69 1.404 30 118.38 1.322 33 118.00 1.318 34 117.69 1.315 35 116.56 1.302 41 115.56 1.291 41 114.56 1.280 47 113.88 1.272 48 112.69 1.259 42 111.94 1.250 41 111.31 1.243 38 108.69 1.214 32 108.13 1.208 33 106.38 1.188 46 105.19 1.175 42 103.88 1.160 46 103.75 1.159 46 102.88 1.149 38 102.44 1.144 38 101.50 1.134 34 101.00 1.128 30 97.13 1.085 67 94.69 1.058 45 93.94 1.049 43 92.31 1.031 48 86.00 0.961 615 84.81 0.947 690 80.06 0.894 326 77.75 0.869 541 74.31 0.830 649 71.69 0.801 59 70.88 0.792 43 69.69 0.779 41 67.44 0.754 521 64.56 0.721 33 63.38 0.708 41
in CDCl3
CCl4 solution
liquid film
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氧基乙酰氯(15356-62-4)核磁图(1HNMR)相关产品图谱