126443-09-2

(2E)-1-(4-aminophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one(126443-09-2) MS

Product Name(2E)-1-(4-aminophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

CAS 126443-09-2

Molecular FormulaC17H18N2O

Molecular Weight266.34

InChIInChI=1S/C17H18N2O/c1-19(2)16-10-3-13(4-11-16)5-12-17(20)14-6-8-15(18)9-7-14/h3-12H,18H2,1-2H3/b12-5+

InChIKey BJWWWAZDCHGYTO-LFYBBSHMSA-N

SmilesC(C1=CC=C(N)C=C1)(=O)/C=C/C1=CC=C(N(C)C)C=C1

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¹HNMR

¹³CNMR

IR1

(2E)-1-(4-aminophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one(126443-09-2) MS
Mass

MS-IW-1489          
trans-4'-amino-4-(dimethylamino)chalcone
C17H18N2O           (Mass of molecular ion:    266)

   Source Temperature: 200 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      39.0       1.2
      42.0       1.3
      65.0       3.6
      77.0       1.5
      92.0       4.2
     102.0       1.1
     103.0       1.4
     111.0       1.3
     118.0       1.5
     118.5       2.6
     119.0       6.0
     120.0       9.8
     121.0      16.7
     122.0       1.6
     130.0       2.2
     131.0       1.7
     144.0       2.5
     145.0       2.5
     146.0       6.1
     174.0       9.5
     175.0       1.2
     193.0       2.6
     194.0       2.9
     195.0       1.1
     221.0       1.6
     222.0       6.7
     223.0       4.6
     237.0       8.9
     238.0       8.9
     239.0       1.5
     249.0       7.7
     250.0       5.5
     251.0       3.8
     252.0       1.4
     265.0      29.0
     266.0     100.0
     267.0      19.4
     268.0       2.3

400 MHz in CDCl3

(2E)-1-(4-aminophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one(126443-09-2) MS

¹H NMR	399.65 MHz
C₁₇ H₁₈ N₂ O	0.015 g : 0.5 ml CDCl₃
trans-4'-amino-4-(dimethylamino)chalcone

    Assign.     Shift(ppm)

      A             7.921
      B             7.765
      C             7.535
      D             7.359
      E             6.69
      F             4.12
      G             3.024
     
     J(B,D)=15.4HZ

     Hz     ppm     Int.

   3170.41   7.933    115
   3168.33   7.928     37
   3163.57   7.916     37
   3161.62   7.911    122
   3112.06   7.787     49
   3096.68   7.749     64
   3015.75   7.546     89
   3014.04   7.542     34
   3008.91   7.529     30
   3007.08   7.525     91
   2947.88   7.377     92
   2932.50   7.338     75
   2679.81   6.706     41
   2677.12   6.699    211
   2675.17   6.694     70
   2670.41   6.682     64
   2668.33   6.677    187
   2665.89   6.671     24
   1208.37   3.024   1000

in CDCl3

liquid film

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