4-(Dimethylamino)-trans-chalcone(22965-98-6) 13C NMR
Product Name4-(Dimethylamino)-trans-chalcone
CAS22965-98-6
Molecular FormulaC17H17NO
Molecular Weight251.32
InChIInChI=1S/C17H17NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h3-13H,1-2H3/b13-10+
InChIKey PDKPRWFMRVBCOB-JLHYYAGUSA-N
SmilesC(C1=CC=CC=C1)(=O)/C=C/C1=CC=C(N(C)C)C=C1
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MassMS-NW-9752 trans-4-(dimethylamino)chalcone C17H17NO (Mass of molecular ion: 251)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
77.0 3.8 102.0 1.1 103.0 1.8 105.0 2.5 111.5 2.3 120.0 1.8 121.0 13.7 121.5 2.3 122.0 1.2 130.0 2.9 131.0 2.7 144.0 3.0 145.0 1.6 146.0 10.6 147.0 1.2 158.0 1.1 165.0 1.1 174.0 33.7 175.0 4.3 178.0 4.1 179.0 5.0 206.0 1.2 207.0 10.1 208.0 3.3 222.0 10.8 223.0 4.5 234.0 7.5 235.0 2.1 236.0 1.9 250.0 33.0 251.0 100.0 252.0 18.6 253.0 2.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C17 H17 N O 0.037 g : 0.5 ml CDCl3 trans-4-(dimethylamino)chalcone 
Assign. Shift(ppm)
A 7.997 B 7.788 C 7.54 D 7.53 E 7.473 F 7.328 G 6.672 J 3.010 J(B,F)=15.5Hz. 90 MHz : HSP-05-095
Hz ppm Int.3201.29 8.011 71 3199.95 8.007 101 3198.49 8.004 58 3193.12 7.990 121 3191.65 7.987 92 3120.85 7.809 61 3105.35 7.771 72 3014.65 7.544 128 3012.08 7.537 84 3009.64 7.531 33 3007.69 7.526 43 3006.10 7.522 143 3005.62 7.521 134 3004.76 7.519 104 3003.30 7.515 54 2993.65 7.491 60 2992.92 7.489 90 2991.58 7.486 51 2986.94 7.474 60 2985.47 7.471 112 2978.52 7.453 51 2977.17 7.450 33 2936.04 7.347 117 2920.53 7.308 100 2670.90 6.684 113 2669.07 6.679 47 2663.94 6.666 35 2661.99 6.661 111 1203.25 3.011 1000
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1H NMR 89.56 MHz C17 H17 N O 0.037 g : 0.5 ml CDCl3 trans-4-(dimethylamino)chalcone Assign. Shift(ppm)
A 7.990 B 7.77 C 7.61 to 7.42 D 7.34 E 6.672 F 3.008 90MHZ. : HSP-05-095
Hz ppm Int.721.19 8.053 51 719.13 8.030 58 716.06 7.996 43 715.13 7.985 37 714.44 7.978 47 713.69 7.969 37 711.38 7.944 73 706.38 7.888 40 690.94 7.715 75 678.88 7.581 91 676.63 7.556 57 675.63 7.544 41 673.63 7.522 135 671.81 7.502 144 670.13 7.483 117 668.81 7.468 65 667.38 7.452 51 666.50 7.442 65 662.31 7.396 124 646.81 7.223 56 601.50 6.717 98 592.50 6.616 77 269.50 3.010 1000
in CDCl3
KBr disc
nujol mull
