Molecular FormulaC17H17NO
Molecular Weight251.32
InChIInChI=1S/C17H17NO/c1-18(2)16-11-9-15(10-12-16)17(19)13-8-14-6-4-3-5-7-14/h3-13H,1-2H3/b13-8+
InChIKey SYXGMWCLRWOVJB-MDWZMJQESA-N
SmilesC(C1=CC=C(N(C)C)C=C1)(=O)/C=C/C1=CC=CC=C1
Mass
MS-NW-9747 trans-4'-(dimethylamino)chalcon C17H17NO (Mass of molecular ion: 251)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 1.3 42.0 2.5 51.0 1.0 77.0 4.6 78.0 1.3 79.0 1.3 91.0 1.4 102.0 1.0 103.0 4.0 104.0 2.7 105.0 2.7 111.5 2.0 118.0 1.2 119.0 1.1 120.0 3.7 121.0 3.7 124.5 4.5 125.0 1.5 125.5 1.9 131.0 2.1 132.0 1.3 148.0 31.1 149.0 3.3 165.0 1.4 174.0 3.4 178.0 4.6 179.0 4.0 206.0 2.1 207.0 12.4 208.0 5.9 209.0 1.1 210.0 1.3 222.0 15.6 223.0 36.5 224.0 6.3 234.0 6.8 235.0 1.9 236.0 3.6 237.0 1.1 250.0 22.6 251.0 100.0 252.0 18.7 253.0 2.3
400 MHz in CDCl3
90 MHz in CDCl3
1H NMR | 399.65 MHz |
C17 H17 N O | 0.034 g : 0.5 ml CDCl3 |
trans-4'-(dimethylamino)chalcon |
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Assign. Shift(ppm) |
Hz ppm Int.
3202.64 8.014 139 3200.56 8.009 48 3195.68 7.997 44 3193.48 7.991 150 3117.80 7.802 55 3102.17 7.763 80 3053.59 7.641 64 3051.64 7.636 63 3050.17 7.633 32 3046.02 7.622 74 3045.53 7.621 76 3044.56 7.619 72 3044.07 7.617 73 3036.74 7.599 122 3021.12 7.560 83 2955.93 7.397 83 2954.71 7.394 47 2950.56 7.383 79 2948.61 7.378 162 2946.90 7.374 56 2675.54 6.695 128 2673.46 6.690 45 2668.46 6.677 39 2666.38 6.672 127 1217.65 3.047 1000
1H NMR | 89.56 MHz |
C17 H17 N O | 0.034 g : 0.5 ml CDCl3 |
trans-4'-(dimethylamino)chalcon |
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Assign. Shift(ppm) |
Hz ppm Int.
721.13 8.052 106 719.00 8.029 33 714.06 7.973 39 711.94 7.950 124 691.63 7.723 106 688.56 7.689 34 687.00 7.671 31 683.56 7.633 172 681.06 7.605 59 678.75 7.579 65 667.88 7.458 50 666.63 7.444 39 664.06 7.415 91 663.19 7.405 81 661.69 7.389 53 660.06 7.371 89 657.31 7.340 80 602.75 6.731 107 600.63 6.707 31 595.63 6.651 32 593.56 6.628 93 272.75 3.046 1000
in CDCl3
KBr disc
nujol mull
(E)-1-[4-(Dimethylamino)phenyl]-3-phenyl-2-propene-1-one(38239-50-8) MS Atlas of Related Products
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