61000-04-2

(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one(61000-04-2) ¹³C NMR

Product Name(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one

CAS 61000-04-2

Molecular FormulaC18H18O3

Molecular Weight282.33

InChIInChI=1S/C18H18O3/c1-13(14-4-8-16(20-2)9-5-14)12-18(19)15-6-10-17(21-3)11-7-15/h4-12H,1-3H3/b13-12+

InChIKey WGRIEPVIFFQACJ-OUKQBFOZSA-N

SmilesC(C1=CC=C(OC)C=C1)(=O)/C=C(/C1=CC=C(OC)C=C1)\C

Request For Quotation

¹HNMR

¹³CNMR

IR1

(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one(61000-04-2) <sup>13</sup>C NMR
Mass

MS-IW-1482          
trans-4,4'-dimethoxy-beta-methylchalcone
C18H18O3            (Mass of molecular ion:    282)

   Source Temperature: 200 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      39.0       3.2
      41.0       1.1
      50.0       2.0
      51.0       3.2
      52.0       1.0
      53.0       1.2
      63.0       5.3
      64.0       5.9
      65.0       2.3
      75.0       1.3
      76.0       2.5
      77.0      16.8
      78.0       5.1
      79.0       1.8
      89.0       3.8
      91.0       5.2
      92.0      10.9
      93.0       1.1
     102.0       1.7
     103.0       5.7
     104.0       3.2
     107.0       5.9
     108.0       2.1
     115.0       7.0
     116.0       2.2
     117.0       2.5
     119.5       1.3
     121.0       7.4
     122.0       1.4
     127.0       2.1
     131.0       3.9
     132.0       2.9
     133.0       1.4
     135.0      24.7
     136.0       2.2
     141.0       1.0
     143.0       4.1
     145.0       4.6
     146.0       2.2
     147.0       2.6
     152.0       1.8
     153.0       1.6
     159.0       1.2
     161.0       2.1
     165.0       2.5
     173.0       6.0
     174.0       3.5
     175.0       7.4
     176.0       1.2
     178.0       1.5
     179.0       1.8
     181.0       1.5
     195.0       1.3
     196.0       2.0
     207.0       1.2
     208.0       1.6
     209.0       1.3
     211.0       1.7
     218.0       1.1
     219.0       1.0
     221.0       1.1
     223.0       2.1
     224.0       3.7
     225.0       1.0
     233.0       1.0
     234.0       1.4
     235.0       1.2
     236.0       1.7
     237.0       1.9
     238.0       3.2
     239.0       6.0
     240.0       1.1
     249.0       2.0
     250.0       4.8
     251.0      50.8
     252.0      11.5
     253.0       4.1
     254.0       6.8
     255.0       1.3
     265.0      13.0
     266.0       7.8
     267.0      23.8
     268.0       4.5
     280.0       2.7
     281.0      96.3
     282.0     100.0
     283.0      19.7
     284.0       2.7

400 MHz in CDCl3

(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one(61000-04-2) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₁₈ H₁₈ O₃	0.035 g : 0.5 ml CDCl₃
trans-4,4'-dimethoxy-beta-methylchalcone

    Assign.     Shift(ppm)

      A             7.989
      B             7.540
      C             7.121
      D             6.95
      E             6.93
      F             3.864
      G             3.842
      J             2.563
     
     J(J,C)=1.2HZ

     Hz     ppm     Int.

   3200.32   8.008     30
   3197.39   8.001    225
   3195.31   7.996     74
   3190.55   7.984     71
   3188.48   7.979    236
   3018.19   7.553    229
   3015.99   7.547     73
   3011.47   7.536     72
   3009.28   7.530    238
   2848.02   7.127     52
   2846.80   7.124    138
   2845.58   7.121    142
   2844.48   7.118     58
   2782.96   6.964     37
   2780.03   6.957    239
   2778.08   6.952     94
   2775.39   6.945    245
   2773.19   6.940    139
   2771.12   6.934    235
   2768.55   6.928     87
   2766.48   6.923    222
   1544.19   3.864    947
   1535.77   3.843   1000
   1025.15   2.566    545
   1023.93   2.563    567

in CDCl3

liquid film

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(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one(61000-04-2) 13C NMR

(2Z)-1,3-Bis(4-methoxyphenyl)-2-buten-1-one(61000-04-2) ¹³C NMR