126443-10-5

3-[4-(dimethylamino)phenyl]-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one(126443-10-5) MS

Product Name3-[4-(dimethylamino)phenyl]-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one

CAS 126443-10-5

Molecular FormulaC18H19NOS

Molecular Weight297.41456

InChIInChI=1S/C18H19NOS/c1-19(2)16-9-4-14(5-10-16)6-13-18(20)15-7-11-17(21-3)12-8-15/h4-13H,1-3H3/b13-6+

InChIKey MYJKYTWPNMQNMM-AWNIVKPZSA-N

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

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¹HNMR

¹³CNMR

IR1

3-[4-(dimethylamino)phenyl]-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one(126443-10-5) MS
Mass

MS-IW-1468          
trans-4-dimethylamino-4'-(methylthio)chalcone
C18H19NOS           (Mass of molecular ion:    297)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      42.0       2.2
      45.0       4.6
      51.0       1.5
      63.0       1.4
      75.0       1.1
      76.0       1.6
      77.0       4.9
      78.0       1.2
      79.0       3.0
      89.0       1.5
      91.0       1.5
     101.0       1.0
     102.0       2.8
     103.0       3.6
     104.0       1.7
     105.0       1.9
     108.0       2.5
     110.5       1.8
     111.0       1.0
     116.0       1.1
     118.0       1.4
     119.0       1.8
     120.0       3.1
     121.0      15.1
     122.0       1.6
     123.0       2.3
     126.5       3.6
     127.0       1.6
     128.0       1.0
     129.0       1.1
     130.0       4.9
     131.0       3.8
     134.0       7.8
     134.5       9.6
     135.0       2.4
     144.0       4.7
     145.0       2.6
     146.0      11.4
     147.0       1.5
     151.0       6.9
     152.0       1.2
     158.0       1.0
     165.0       1.3
     174.0      21.6
     175.0       2.8
     178.0       3.9
     179.0       1.2
     207.0       1.3
     220.0       1.0
     221.0       2.5
     222.0       1.3
     234.0       1.9
     238.0       1.2
     239.0       1.7
     250.0      24.2
     251.0       4.8
     252.0       1.0
     253.0       4.0
     254.0       5.6
     255.0       1.2
     265.0       1.0
     266.0       1.0
     268.0       2.4
     269.0       3.1
     280.0       2.8
     281.0       3.5
     282.0      11.1
     283.0       3.1
     284.0       1.1
     296.0      22.9
     297.0     100.0
     298.0      21.8
     299.0       7.2
     300.0       1.1

400 MHz in CDCl3

3-[4-(dimethylamino)phenyl]-1-[4-(methylsulfanyl)phenyl]-2-propen-1-one(126443-10-5) MS

¹H NMR	399.65 MHz
C₁₈ H₁₉ N O S	0.036 g : 0.5 ml CDCl₃
trans-4-dimethylamino-4'-(methylthio)chalcone

    Assign.     Shift(ppm)

      A             7.940
      B             7.791
      C             7.531
      D             7.321
      E             7.282
      F             6.669
      G             3.012
      J             2.510
     
     J(B,D)=15.5HZ

     Hz     ppm     Int.

   3177.98   7.952    119
   3176.27   7.948     55
   3171.39   7.936     42
   3169.43   7.931    141
   3167.48   7.926     32
   3121.95   7.812     59
   3106.45   7.773     69
   3014.53   7.543    105
   3007.57   7.526     36
   3005.62   7.521    113
   2933.47   7.341     98
   2918.09   7.302     92
   2914.67   7.294    133
   2912.84   7.289     60
   2907.96   7.277     41
   2906.13   7.272    134
   2904.05   7.267     31
   2669.68   6.681    110
   2662.60   6.663     35
   2660.64   6.658    109
   1203.98   3.013   1000
   1003.54   2.512    587

in CDCl3

liquid film

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